1-methyl-3-[(1-methylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide

C10H14N6O — CID 122166473

IUPAC1-methyl-3-[(1-methylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide
SMILESCn1cc(CNc2cc(C(N)=O)n(C)n2)cn1
InChIInChI=1S/C10H14N6O/c1-15-6-7(5-13-15)4-12-9-3-8(10(11)17)16(2)14-9/h3,5-6H,4H2,1-2H3,(H2,11,17)(H,12,14)
InChIKeyPDWQIQQOMHJLRQ-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.14
Rot. Bonds4

About 1-methyl-3-[(1-methylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide

1-methyl-3-[(1-methylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide (PubChem CID 122166473) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-methyl-3-[(1-methylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-[(1-methylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide
PubChem CID122166473
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name1-methyl-3-[(1-methylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide
SMILESCn1cc(CNc2cc(C(N)=O)n(C)n2)cn1
InChIInChI=1S/C10H14N6O/c1-15-6-7(5-13-15)4-12-9-3-8(10(11)17)16(2)14-9/h3,5-6H,4H2,1-2H3,(H2,11,17)(H,12,14)
InChIKeyPDWQIQQOMHJLRQ-UHFFFAOYSA-N
XLogP-0.14
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,5-difluorophenyl)methylamino]-1-methylpyrazole-5-carboxamide
CID 122168302
1,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 19626325
1-methyl-3-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide
CID 122167362
4-amino-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61351154
4-chloro-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43679399
4-amino-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide
CID 61348466
methyl 4-methyl-6-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-2-carboxylate
CID 66287055
2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 122166456
3-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzamide
CID 43664759
6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80817082
methyl 6-[(1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylate
CID 66457699
4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 63361195

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1-methylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-[(1-methylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide (CID 122166473) is 1-methyl-3-[(1-methylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-[(1-methylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-[(1-methylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide is Cn1cc(CNc2cc(C(N)=O)n(C)n2)cn1.
What is the InChIKey of 1-methyl-3-[(1-methylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide?
The InChIKey is PDWQIQQOMHJLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-15-6-7(5-13-15)4-12-9-3-8(10(11)17)16(2)14-9/h3,5-6H,4H2,1-2H3,(H2,11,17)(H,12,14).
What are the key properties of 1-methyl-3-[(1-methylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide?
1-methyl-3-[(1-methylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide has a molecular weight of 234.26 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1-methylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide is sourced from PubChem (CID 122166473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).