4-amino-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide

C12H17ClN6O — CID 19620405

IUPAC4-amino-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide
SMILESCc1c(Cl)cnn1CCCNC(=O)c1nn(C)cc1N
InChIInChI=1S/C12H17ClN6O/c1-8-9(13)6-16-19(8)5-3-4-15-12(20)11-10(14)7-18(2)17-11/h6-7H,3-5,14H2,1-2H3,(H,15,20)
InChIKeyKYQYIRBEIRFUGR-UHFFFAOYSA-N
MW296.76 g/mol
LogP0.98
Rot. Bonds5

About 4-amino-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide

4-amino-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide (PubChem CID 19620405) has the molecular formula C12H17ClN6O and a molecular weight of 296.76 g/mol. Its IUPAC name is 4-amino-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide
PubChem CID19620405
Molecular FormulaC12H17ClN6O
Molecular Weight296.76 g/mol
Exact Mass296.12
IUPAC Name4-amino-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide
SMILESCc1c(Cl)cnn1CCCNC(=O)c1nn(C)cc1N
InChIInChI=1S/C12H17ClN6O/c1-8-9(13)6-16-19(8)5-3-4-15-12(20)11-10(14)7-18(2)17-11/h6-7H,3-5,14H2,1-2H3,(H,15,20)
InChIKeyKYQYIRBEIRFUGR-UHFFFAOYSA-N
XLogP0.98
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide
CID 19620393
4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 65355442
4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108
4-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride
CID 19552342
3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19554002
4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 65354392
4-amino-N-but-3-ynyl-1-methylpyrazole-3-carboxamide
CID 65355592
4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide
CID 65355029
4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide
CID 65354874
4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 19620372
4-amino-1-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-3-carboxamide
CID 106425236
4-amino-1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 103004054

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide (CID 19620405) is 4-amino-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide is Cc1c(Cl)cnn1CCCNC(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is KYQYIRBEIRFUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN6O/c1-8-9(13)6-16-19(8)5-3-4-15-12(20)11-10(14)7-18(2)17-11/h6-7H,3-5,14H2,1-2H3,(H,15,20).
What are the key properties of 4-amino-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide?
4-amino-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 296.76 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19620405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).