N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(pyrrolidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H19N9O2 — CID 122515240

IUPACN-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(pyrrolidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(NC4CCNC4)nc23)c(C(N)=O)n1
InChIInChI=1S/C16H19N9O2/c1-24-8-11(13(23-24)14(17)26)21-16(27)10-7-19-25-5-3-12(22-15(10)25)20-9-2-4-18-6-9/h3,5,7-9,18H,2,4,6H2,1H3,(H2,17,26)(H,20,22)(H,21,27)
InChIKeyKDCNVKSMNXSGEU-UHFFFAOYSA-N
MW369.39 g/mol
LogP-0.41
Rot. Bonds5

About N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(pyrrolidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(pyrrolidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122515240) has the molecular formula C16H19N9O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(pyrrolidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(pyrrolidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122515240
Molecular FormulaC16H19N9O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC NameN-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(pyrrolidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(NC4CCNC4)nc23)c(C(N)=O)n1
InChIInChI=1S/C16H19N9O2/c1-24-8-11(13(23-24)14(17)26)21-16(27)10-7-19-25-5-3-12(22-15(10)25)20-9-2-4-18-6-9/h3,5,7-9,18H,2,4,6H2,1H3,(H2,17,26)(H,20,22)(H,21,27)
InChIKeyKDCNVKSMNXSGEU-UHFFFAOYSA-N
XLogP-0.41
TPSA144.26 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

5-{[(1r,2s)-2-Aminocyclohexyl]amino}-N-[1-Methyl-3-(Trifluoromethyl)-1h-Pyrazol-4-Yl]pyrazolo[1,5-A]pyrimidine-3-Carboxamide
CID 122181630
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181640
3-(Pyrimidin-5-ylamino)-6-pyrrolidin-1-yl-pyrazine-2-carboxylic acid (1-methyl-5-methylcarbamoyl-1H-pyrazol-4-yl)-amide
CID 58548144
US10155765, Example 31
CID 121493987
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181626
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-cyano-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181629
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181631
5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181643
5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181645
(R)-5-(5-Amino-3,3-difluoropiperidin-1-yl)-N-(3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181674
5-[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181675
5-[(3S,4S)-3-amino-4-fluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181676

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(pyrrolidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(pyrrolidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122515240) is N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(pyrrolidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(pyrrolidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(pyrrolidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3ccc(NC4CCNC4)nc23)c(C(N)=O)n1.
What is the InChIKey of N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(pyrrolidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KDCNVKSMNXSGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N9O2/c1-24-8-11(13(23-24)14(17)26)21-16(27)10-7-19-25-5-3-12(22-15(10)25)20-9-2-4-18-6-9/h3,5,7-9,18H,2,4,6H2,1H3,(H2,17,26)(H,20,22)(H,21,27).
What are the key properties of N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(pyrrolidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(pyrrolidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 369.39 g/mol, XLogP of -0.41, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(pyrrolidin-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122515240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).