N-[2-(4-aminopyrazol-1-yl)ethyl]-3-chloropyridine-4-carboxamide

C11H12ClN5O — CID 113285917

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-3-chloropyridine-4-carboxamide
SMILESNc1cnn(CCNC(=O)c2ccncc2Cl)c1
InChIInChI=1S/C11H12ClN5O/c12-10-6-14-2-1-9(10)11(18)15-3-4-17-7-8(13)5-16-17/h1-2,5-7H,3-4,13H2,(H,15,18)
InChIKeyPUCPYTRCRBLWHN-UHFFFAOYSA-N
MW265.70 g/mol
LogP0.94
Rot. Bonds4

About N-[2-(4-aminopyrazol-1-yl)ethyl]-3-chloropyridine-4-carboxamide

N-[2-(4-aminopyrazol-1-yl)ethyl]-3-chloropyridine-4-carboxamide (PubChem CID 113285917) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-3-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-3-chloropyridine-4-carboxamide
PubChem CID113285917
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-3-chloropyridine-4-carboxamide
SMILESNc1cnn(CCNC(=O)c2ccncc2Cl)c1
InChIInChI=1S/C11H12ClN5O/c12-10-6-14-2-1-9(10)11(18)15-3-4-17-7-8(13)5-16-17/h1-2,5-7H,3-4,13H2,(H,15,18)
InChIKeyPUCPYTRCRBLWHN-UHFFFAOYSA-N
XLogP0.94
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-aminopyrazol-1-yl)ethyl]-5-chloro-2-methylbenzamide
CID 82881102
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide
CID 115319755
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide
CID 115319778
N-(2-bromoethyl)-3-chloropyridine-4-carboxamide
CID 66482611
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide
CID 115319574
N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide
CID 66462619
N-[2-(4-aminopyrazol-1-yl)ethyl]benzamide
CID 115319572
3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
CID 66482803
4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951477
2-[2-[(3-chloropyridine-4-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526506
3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide
CID 79079687
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-fluoro-4-methylbenzamide
CID 115319750

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-3-chloropyridine-4-carboxamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-3-chloropyridine-4-carboxamide (CID 113285917) is N-[2-(4-aminopyrazol-1-yl)ethyl]-3-chloropyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-3-chloropyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-3-chloropyridine-4-carboxamide is Nc1cnn(CCNC(=O)c2ccncc2Cl)c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-3-chloropyridine-4-carboxamide?
The InChIKey is PUCPYTRCRBLWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c12-10-6-14-2-1-9(10)11(18)15-3-4-17-7-8(13)5-16-17/h1-2,5-7H,3-4,13H2,(H,15,18).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-3-chloropyridine-4-carboxamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-3-chloropyridine-4-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-3-chloropyridine-4-carboxamide is sourced from PubChem (CID 113285917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).