1,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-carboxamide

C12H17N5O — CID 19281603

IUPAC1,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCc1ccnn1C
InChIInChI=1S/C12H17N5O/c1-8-11(9(2)16(3)15-8)12(18)13-7-10-5-6-14-17(10)4/h5-6H,7H2,1-4H3,(H,13,18)
InChIKeyROJASQRKCSKCIG-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.70
Rot. Bonds3

About 1,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-carboxamide

1,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-carboxamide (PubChem CID 19281603) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-carboxamide
PubChem CID19281603
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCc1ccnn1C
InChIInChI=1S/C12H17N5O/c1-8-11(9(2)16(3)15-8)12(18)13-7-10-5-6-14-17(10)4/h5-6H,7H2,1-4H3,(H,13,18)
InChIKeyROJASQRKCSKCIG-UHFFFAOYSA-N
XLogP0.70
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dimethyl-2-[(2-methylpyrazol-3-yl)methylcarbamoyl]benzoic acid
CID 103429066
1,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19279664
1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 35335541
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
4-amino-1-ethyl-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
CID 66123130
4-amino-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 65353862
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 119105901
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19525222
N-[(2,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 110472944
5-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43362975
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281732
2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63302579

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-carboxamide (CID 19281603) is 1,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NCc1ccnn1C.
What is the InChIKey of 1,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is ROJASQRKCSKCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-11(9(2)16(3)15-8)12(18)13-7-10-5-6-14-17(10)4/h5-6H,7H2,1-4H3,(H,13,18).
What are the key properties of 1,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-carboxamide?
1,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 19281603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).