N-[(2-chlorophenyl)methyl]-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide

C19H17ClN4O2 — CID 171144642

IUPACN-[(2-chlorophenyl)methyl]-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cc2n(n1)CC(Oc1ccncc1)C2
InChIInChI=1S/C19H17ClN4O2/c20-17-4-2-1-3-13(17)11-22-19(25)18-10-14-9-16(12-24(14)23-18)26-15-5-7-21-8-6-15/h1-8,10,16H,9,11-12H2,(H,22,25)
InChIKeyFKZINYDGMZSSQA-UHFFFAOYSA-N
MW368.82 g/mol
LogP2.87
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide

N-[(2-chlorophenyl)methyl]-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide (PubChem CID 171144642) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
PubChem CID171144642
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-[(2-chlorophenyl)methyl]-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cc2n(n1)CC(Oc1ccncc1)C2
InChIInChI=1S/C19H17ClN4O2/c20-17-4-2-1-3-13(17)11-22-19(25)18-10-14-9-16(12-24(14)23-18)26-15-5-7-21-8-6-15/h1-8,10,16H,9,11-12H2,(H,22,25)
InChIKeyFKZINYDGMZSSQA-UHFFFAOYSA-N
XLogP2.87
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 171141583
N-[(4-chlorophenyl)methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 171141575
6-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889818
N-[(2-chlorophenyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789304
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 171144630
N-[(2-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109201907
N-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide
CID 30920617
6-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889816
N-[(2-chlorophenyl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 47000839
N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 881091
2-(2-chlorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617138
N-[(2-chlorophenyl)methyl]-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081046

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide (CID 171144642) is N-[(2-chlorophenyl)methyl]-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide is O=C(NCc1ccccc1Cl)c1cc2n(n1)CC(Oc1ccncc1)C2.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The InChIKey is FKZINYDGMZSSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-17-4-2-1-3-13(17)11-22-19(25)18-10-14-9-16(12-24(14)23-18)26-15-5-7-21-8-6-15/h1-8,10,16H,9,11-12H2,(H,22,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
N-[(2-chlorophenyl)methyl]-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide is sourced from PubChem (CID 171144642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).