1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide

C10H13N5O — CID 19474553

IUPAC1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCn1cc(CNC(=O)c2cnn(C)c2)cn1
InChIInChI=1S/C10H13N5O/c1-14-6-8(4-12-14)3-11-10(16)9-5-13-15(2)7-9/h4-7H,3H2,1-2H3,(H,11,16)
InChIKeyUSCGGBHHPOLGIV-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.08
Rot. Bonds3

About 1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide

1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 19474553) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID19474553
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCn1cc(CNC(=O)c2cnn(C)c2)cn1
InChIInChI=1S/C10H13N5O/c1-14-6-8(4-12-14)3-11-10(16)9-5-13-15(2)7-9/h4-7H,3H2,1-2H3,(H,11,16)
InChIKeyUSCGGBHHPOLGIV-UHFFFAOYSA-N
XLogP0.08
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375355
5-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 63861037
N-[(4-cyanophenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 47161871
4-cyano-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61343888
3-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292435
3,4,5-trimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60568762
5-bromo-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 39891817
3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 113434699
4-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 122561579
1-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 86986258
3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375354

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide (CID 19474553) is 1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide is Cn1cc(CNC(=O)c2cnn(C)c2)cn1.
What is the InChIKey of 1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is USCGGBHHPOLGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-14-6-8(4-12-14)3-11-10(16)9-5-13-15(2)7-9/h4-7H,3H2,1-2H3,(H,11,16).
What are the key properties of 1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 219.25 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 19474553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).