N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide

C12H15N5O — CID 95749180

IUPACN-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1cnn(CC2CC2)c1
InChIInChI=1S/C12H15N5O/c1-16-11(4-5-13-16)12(18)15-10-6-14-17(8-10)7-9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H,15,18)
InChIKeyXDYFMTLRPHYDTB-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.28
Rot. Bonds4

About N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide

N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 95749180) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
PubChem CID95749180
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1cnn(CC2CC2)c1
InChIInChI=1S/C12H15N5O/c1-16-11(4-5-13-16)12(18)15-10-6-14-17(8-10)7-9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H,15,18)
InChIKeyXDYFMTLRPHYDTB-UHFFFAOYSA-N
XLogP1.28
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide
CID 95749420
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95744231
4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622047
3-(4-fluorophenyl)-1-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 90622240
4-bromo-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622120
N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 95749448
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 19475757
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide
CID 90622137
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 95749289
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 95749136
N-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide
CID 143736816
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 95749422

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide (CID 95749180) is N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1cnn(CC2CC2)c1.
What is the InChIKey of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is XDYFMTLRPHYDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-16-11(4-5-13-16)12(18)15-10-6-14-17(8-10)7-9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H,15,18).
What are the key properties of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide?
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 95749180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).