3-amino-4-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1H-pyrazole-5-carboxamide

C13H19ClN6O — CID 90647926

IUPAC3-amino-4-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCc1n[nH]c(C)c1CCCN(C)C(=O)c1[nH]nc(N)c1Cl
InChIInChI=1S/C13H19ClN6O/c1-7-9(8(2)17-16-7)5-4-6-20(3)13(21)11-10(14)12(15)19-18-11/h4-6H2,1-3H3,(H,16,17)(H3,15,18,19)
InChIKeySWIDXLIIOBFERF-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.69
Rot. Bonds5

About 3-amino-4-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1H-pyrazole-5-carboxamide

3-amino-4-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 90647926) has the molecular formula C13H19ClN6O and a molecular weight of 310.79 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID90647926
Molecular FormulaC13H19ClN6O
Molecular Weight310.79 g/mol
Exact Mass310.13
IUPAC Name3-amino-4-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCc1n[nH]c(C)c1CCCN(C)C(=O)c1[nH]nc(N)c1Cl
InChIInChI=1S/C13H19ClN6O/c1-7-9(8(2)17-16-7)5-4-6-20(3)13(21)11-10(14)12(15)19-18-11/h4-6H2,1-3H3,(H,16,17)(H3,15,18,19)
InChIKeySWIDXLIIOBFERF-UHFFFAOYSA-N
XLogP1.69
TPSA103.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-4-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1H-pyrazole-5-carboxamide (CID 90647926) is 3-amino-4-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-4-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-4-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1H-pyrazole-5-carboxamide is Cc1n[nH]c(C)c1CCCN(C)C(=O)c1[nH]nc(N)c1Cl.
What is the InChIKey of 3-amino-4-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is SWIDXLIIOBFERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN6O/c1-7-9(8(2)17-16-7)5-4-6-20(3)13(21)11-10(14)12(15)19-18-11/h4-6H2,1-3H3,(H,16,17)(H3,15,18,19).
What are the key properties of 3-amino-4-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1H-pyrazole-5-carboxamide?
3-amino-4-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 310.79 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 90647926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).