3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

C18H25Cl2N5O — CID 119871314

IUPAC3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC1C2CCC(C2)C1C(=O)Nc1ccn(CCc2ccncc2)n1
InChIInChI=1S/C18H23N5O.2ClH/c19-17-14-2-1-13(11-14)16(17)18(24)21-15-6-10-23(22-15)9-5-12-3-7-20-8-4-12;;/h3-4,6-8,10,13-14,16-17H,1-2,5,9,11,19H2,(H,21,22,24);2*1H
InChIKeyFOSVFSIFZQNDQQ-UHFFFAOYSA-N
MW398.34 g/mol
LogP2.68
Rot. Bonds5

About 3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (PubChem CID 119871314) has the molecular formula C18H25Cl2N5O and a molecular weight of 398.34 g/mol. Its IUPAC name is 3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
PubChem CID119871314
Molecular FormulaC18H25Cl2N5O
Molecular Weight398.34 g/mol
Exact Mass397.14
IUPAC Name3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC1C2CCC(C2)C1C(=O)Nc1ccn(CCc2ccncc2)n1
InChIInChI=1S/C18H23N5O.2ClH/c19-17-14-2-1-13(11-14)16(17)18(24)21-15-6-10-23(22-15)9-5-12-3-7-20-8-4-12;;/h3-4,6-8,10,13-14,16-17H,1-2,5,9,11,19H2,(H,21,22,24);2*1H
InChIKeyFOSVFSIFZQNDQQ-UHFFFAOYSA-N
XLogP2.68
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2R,4S)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98750681
3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119871312
(2R)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]piperidine-2-carboxamide;dihydrochloride
CID 119871304
(2R,4S)-4-fluoro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide
CID 154802243
2-amino-2-(oxan-4-yl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
CID 120799514
N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]morpholine-3-carboxamide
CID 119871307
N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]morpholine-2-carboxamide
CID 119871345
1-hydroxy-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 110924173
ethyl 4-[[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]carbamoyl]benzoate
CID 138989642
2-(1-hydroxycyclohexyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
CID 111332045
2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
CID 111432604
3-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 3238232

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (CID 119871314) is 3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is Cl.Cl.NC1C2CCC(C2)C1C(=O)Nc1ccn(CCc2ccncc2)n1.
What is the InChIKey of 3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The InChIKey is FOSVFSIFZQNDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O.2ClH/c19-17-14-2-1-13(11-14)16(17)18(24)21-15-6-10-23(22-15)9-5-12-3-7-20-8-4-12;;/h3-4,6-8,10,13-14,16-17H,1-2,5,9,11,19H2,(H,21,22,24);2*1H.
What are the key properties of 3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride has a molecular weight of 398.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119871314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).