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

C16H23Cl2N5O — CID 119871312

IUPAC3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)Nc2ccn(CCc3ccncc3)n2)C1
InChIInChI=1S/C16H21N5O.2ClH/c17-14-2-1-13(11-14)16(22)19-15-6-10-21(20-15)9-5-12-3-7-18-8-4-12;;/h3-4,6-8,10,13-14H,1-2,5,9,11,17H2,(H,19,20,22);2*1H
InChIKeyNWVOTMAXMBQSLC-UHFFFAOYSA-N
MW372.30 g/mol
LogP2.43
Rot. Bonds5

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

3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119871312) has the molecular formula C16H23Cl2N5O and a molecular weight of 372.30 g/mol. Its IUPAC name is 3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119871312
Molecular FormulaC16H23Cl2N5O
Molecular Weight372.30 g/mol
Exact Mass371.13
IUPAC Name3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)Nc2ccn(CCc3ccncc3)n2)C1
InChIInChI=1S/C16H21N5O.2ClH/c17-14-2-1-13(11-14)16(22)19-15-6-10-21(20-15)9-5-12-3-7-18-8-4-12;;/h3-4,6-8,10,13-14H,1-2,5,9,11,17H2,(H,19,20,22);2*1H
InChIKeyNWVOTMAXMBQSLC-UHFFFAOYSA-N
XLogP2.43
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119871314
(1S,2R,4S)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98750681
(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
3-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119870150
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
N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide;dihydrochloride
CID 119871238
1-hydroxy-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 110924173
3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848169
1-(3-aminocyclopentyl)-2-pyridin-4-ylethanone
CID 116587341

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide;dihydrochloride (CID 119871312) is 3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide;dihydrochloride is Cl.Cl.NC1CCC(C(=O)Nc2ccn(CCc3ccncc3)n2)C1.
What is the InChIKey of 3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is NWVOTMAXMBQSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.2ClH/c17-14-2-1-13(11-14)16(22)19-15-6-10-21(20-15)9-5-12-3-7-18-8-4-12;;/h3-4,6-8,10,13-14H,1-2,5,9,11,17H2,(H,19,20,22);2*1H.
What are the key properties of 3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 372.30 g/mol, XLogP of 2.43, 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]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119871312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).