N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-[(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H22N8O3 — CID 122515263

IUPACN-(3-carbamoyl-1-methylpyrazol-4-yl)-5-[(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(NC4CCCCC4O)nc23)c(C(N)=O)n1
InChIInChI=1S/C18H22N8O3/c1-25-9-12(15(24-25)16(19)28)22-18(29)10-8-20-26-7-6-14(23-17(10)26)21-11-4-2-3-5-13(11)27/h6-9,11,13,27H,2-5H2,1H3,(H2,19,28)(H,21,23)(H,22,29)
InChIKeyLCLRNPCIDQBPGE-UHFFFAOYSA-N
MW398.43 g/mol
LogP0.53
Rot. Bonds5

About N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-[(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-[(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122515263) has the molecular formula C18H22N8O3 and a molecular weight of 398.43 g/mol. Its IUPAC name is N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-[(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-1-methylpyrazol-4-yl)-5-[(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122515263
Molecular FormulaC18H22N8O3
Molecular Weight398.43 g/mol
Exact Mass398.18
IUPAC NameN-(3-carbamoyl-1-methylpyrazol-4-yl)-5-[(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(NC4CCCCC4O)nc23)c(C(N)=O)n1
InChIInChI=1S/C18H22N8O3/c1-25-9-12(15(24-25)16(19)28)22-18(29)10-8-20-26-7-6-14(23-17(10)26)21-11-4-2-3-5-13(11)27/h6-9,11,13,27H,2-5H2,1H3,(H2,19,28)(H,21,23)(H,22,29)
InChIKeyLCLRNPCIDQBPGE-UHFFFAOYSA-N
XLogP0.53
TPSA152.46 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-[(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-[(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122515263) is N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-[(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-[(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-[(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3ccc(NC4CCCCC4O)nc23)c(C(N)=O)n1.
What is the InChIKey of N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-[(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LCLRNPCIDQBPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O3/c1-25-9-12(15(24-25)16(19)28)22-18(29)10-8-20-26-7-6-14(23-17(10)26)21-11-4-2-3-5-13(11)27/h6-9,11,13,27H,2-5H2,1H3,(H2,19,28)(H,21,23)(H,22,29).
What are the key properties of N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-[(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-[(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 0.53, 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-[(2-hydroxycyclohexyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122515263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).