4-amino-N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C13H18N6O — CID 62076741

IUPAC4-amino-N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1nccc(CNC(=O)c2n[nH]c(C(C)C)c2N)n1
InChIInChI=1S/C13H18N6O/c1-7(2)11-10(14)12(19-18-11)13(20)16-6-9-4-5-15-8(3)17-9/h4-5,7H,6,14H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyHTXXDKUEEGKXPA-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.14
Rot. Bonds4

About 4-amino-N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-amino-N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 62076741) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-amino-N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID62076741
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name4-amino-N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1nccc(CNC(=O)c2n[nH]c(C(C)C)c2N)n1
InChIInChI=1S/C13H18N6O/c1-7(2)11-10(14)12(19-18-11)13(20)16-6-9-4-5-15-8(3)17-9/h4-5,7H,6,14H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyHTXXDKUEEGKXPA-UHFFFAOYSA-N
XLogP1.14
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 62079534
4-amino-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 63295942
5-amino-N-[(2-methylpyrimidin-4-yl)methyl]pyrazine-2-carboxamide
CID 113381906
4-amino-3,5-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 82832714
4-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 106391325
3-amino-4-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 61138905
4-amino-N-(2-hydroxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076723
4-amino-N-[(3-bromophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076742
4-amino-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076883
2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid
CID 114897739
2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 61138716
2,3-dimethyl-4-[(2-methylpyrimidin-4-yl)methylamino]-4-oxobutanoic acid
CID 103497934

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 62076741) is 4-amino-N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is Cc1nccc(CNC(=O)c2n[nH]c(C(C)C)c2N)n1.
What is the InChIKey of 4-amino-N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is HTXXDKUEEGKXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-7(2)11-10(14)12(19-18-11)13(20)16-6-9-4-5-15-8(3)17-9/h4-5,7H,6,14H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 4-amino-N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-amino-N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62076741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).