3-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide

C11H18N4O — CID 63858324

IUPAC3-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)N(C)CC1CC1C
InChIInChI=1S/C11H18N4O/c1-6-4-8(6)5-15(3)11(16)9-7(2)13-14-10(9)12/h6,8H,4-5H2,1-3H3,(H3,12,13,14)
InChIKeyDQSSKTUZIJHWGL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.03
Rot. Bonds3

About 3-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide

3-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 63858324) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID63858324
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)N(C)CC1CC1C
InChIInChI=1S/C11H18N4O/c1-6-4-8(6)5-15(3)11(16)9-7(2)13-14-10(9)12/h6,8H,4-5H2,1-3H3,(H3,12,13,14)
InChIKeyDQSSKTUZIJHWGL-UHFFFAOYSA-N
XLogP1.03
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide (CID 63858324) is 3-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide is Cc1[nH]nc(N)c1C(=O)N(C)CC1CC1C.
What is the InChIKey of 3-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is DQSSKTUZIJHWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-6-4-8(6)5-15(3)11(16)9-7(2)13-14-10(9)12/h6,8H,4-5H2,1-3H3,(H3,12,13,14).
What are the key properties of 3-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide?
3-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63858324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).