N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C16H26N6O — CID 119656984

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N(C)CC(C)(C)CN)[nH]n1
InChIInChI=1S/C16H26N6O/c1-10-14(11(2)22(6)20-10)12-7-13(19-18-12)15(23)21(5)9-16(3,4)8-17/h7H,8-9,17H2,1-6H3,(H,18,19)
InChIKeyITGZYSFCTLSLHN-UHFFFAOYSA-N
MW318.43 g/mol
LogP1.48
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 119656984) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID119656984
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N(C)CC(C)(C)CN)[nH]n1
InChIInChI=1S/C16H26N6O/c1-10-14(11(2)22(6)20-10)12-7-13(19-18-12)15(23)21(5)9-16(3,4)8-17/h7H,8-9,17H2,1-6H3,(H,18,19)
InChIKeyITGZYSFCTLSLHN-UHFFFAOYSA-N
XLogP1.48
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 119656984) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)CC(C)(C)CN)[nH]n1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is ITGZYSFCTLSLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c1-10-14(11(2)22(6)20-10)12-7-13(19-18-12)15(23)21(5)9-16(3,4)8-17/h7H,8-9,17H2,1-6H3,(H,18,19).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 318.43 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 119656984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).