N-[(4-chlorophenyl)methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide

C19H17ClN4O2 — CID 171141575

IUPACN-[(4-chlorophenyl)methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc2n(n1)CC(Oc1cccnc1)C2
InChIInChI=1S/C19H17ClN4O2/c20-14-5-3-13(4-6-14)10-22-19(25)18-9-15-8-17(12-24(15)23-18)26-16-2-1-7-21-11-16/h1-7,9,11,17H,8,10,12H2,(H,22,25)
InChIKeyBVLWXVHRFMUMKF-UHFFFAOYSA-N
MW368.82 g/mol
LogP2.87
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide

N-[(4-chlorophenyl)methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide (PubChem CID 171141575) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
PubChem CID171141575
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-[(4-chlorophenyl)methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc2n(n1)CC(Oc1cccnc1)C2
InChIInChI=1S/C19H17ClN4O2/c20-14-5-3-13(4-6-14)10-22-19(25)18-9-15-8-17(12-24(15)23-18)26-16-2-1-7-21-11-16/h1-7,9,11,17H,8,10,12H2,(H,22,25)
InChIKeyBVLWXVHRFMUMKF-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-[[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]-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 171144642
N-(furan-2-ylmethyl)-5-pyridin-4-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 171141583
1-[(4-chlorophenyl)methyl]-3-(4-pyridin-3-yloxycyclohexyl)urea
CID 166834962
(6S)-N-benzyl-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99744913
6-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889807
N-[(4-chlorophenyl)methyl]-3-[(2-methyl-4-pyridinyl)oxy]azetidine-1-carboxamide
CID 163353447
5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190073
2-(4-chlorophenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121185901
(6S)-N-[(3-chloro-4-fluorophenyl)methyl]-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99753891
N-benzyl-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566130
4-chloro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 86990543

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide (CID 171141575) is N-[(4-chlorophenyl)methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cc2n(n1)CC(Oc1cccnc1)C2.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
The InChIKey is BVLWXVHRFMUMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-14-5-3-13(4-6-14)10-22-19(25)18-9-15-8-17(12-24(15)23-18)26-16-2-1-7-21-11-16/h1-7,9,11,17H,8,10,12H2,(H,22,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide?
N-[(4-chlorophenyl)methyl]-5-pyridin-3-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-[(4-chlorophenyl)methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide is sourced from PubChem (CID 171141575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).