1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide

C15H20N6O — CID 126948031

IUPAC1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2CCN(Cc3cc4n(n3)CCC4)C2)c1
InChIInChI=1S/C15H20N6O/c16-15(22)11-7-17-21(8-11)14-3-5-19(10-14)9-12-6-13-2-1-4-20(13)18-12/h6-8,14H,1-5,9-10H2,(H2,16,22)
InChIKeyNCDOZXDHDYBQAG-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.57
Rot. Bonds4

About 1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide

1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide (PubChem CID 126948031) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
PubChem CID126948031
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2CCN(Cc3cc4n(n3)CCC4)C2)c1
InChIInChI=1S/C15H20N6O/c16-15(22)11-7-17-21(8-11)14-3-5-19(10-14)9-12-6-13-2-1-4-20(13)18-12/h6-8,14H,1-5,9-10H2,(H2,16,22)
InChIKeyNCDOZXDHDYBQAG-UHFFFAOYSA-N
XLogP0.57
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126947993
1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948066
1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948054
2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 126900257
1-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948057
1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one
CID 126899394
1-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide
CID 126901141
1-[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide
CID 126901018
2-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56886042
2-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 126946513
1-[1-(cycloheptylcarbamoyl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126900915
1-[1-[2-(3-oxomorpholin-4-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide
CID 126901068

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide (CID 126948031) is 1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide is NC(=O)c1cnn(C2CCN(Cc3cc4n(n3)CCC4)C2)c1.
What is the InChIKey of 1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is NCDOZXDHDYBQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c16-15(22)11-7-17-21(8-11)14-3-5-19(10-14)9-12-6-13-2-1-4-20(13)18-12/h6-8,14H,1-5,9-10H2,(H2,16,22).
What are the key properties of 1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 126948031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).