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

C14H22N6O — CID 119585172

IUPACN-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N(C)C(C)CN)[nH]n1
InChIInChI=1S/C14H22N6O/c1-8(7-15)19(4)14(21)12-6-11(16-17-12)13-9(2)18-20(5)10(13)3/h6,8H,7,15H2,1-5H3,(H,16,17)
InChIKeyNTAIIEAYBZYOBK-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.85
Rot. Bonds4

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

N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 119585172) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID119585172
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N(C)C(C)CN)[nH]n1
InChIInChI=1S/C14H22N6O/c1-8(7-15)19(4)14(21)12-6-11(16-17-12)13-9(2)18-20(5)10(13)3/h6,8H,7,15H2,1-5H3,(H,16,17)
InChIKeyNTAIIEAYBZYOBK-UHFFFAOYSA-N
XLogP0.85
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2-methylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119998304
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119656984
2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]amino]acetic acid
CID 119346629
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78882620
N-(2-amino-2-ethylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119643846
N-(2-amino-1-cyclopropylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119617698
N-(1-aminopropan-2-yl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119581386
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 16672053
propan-2-yl 3-[[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]amino]propanoate
CID 78881579
N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119582352
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78881743
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78881182

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 119585172) is N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)C(C)CN)[nH]n1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is NTAIIEAYBZYOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-8(7-15)19(4)14(21)12-6-11(16-17-12)13-9(2)18-20(5)10(13)3/h6,8H,7,15H2,1-5H3,(H,16,17).
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 119585172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).