1-methyl-3-(2-methylpropyl)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrazole-5-carboxamide

C16H25N5O — CID 70779406

IUPAC1-methyl-3-(2-methylpropyl)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrazole-5-carboxamide
SMILESCCC(NC(=O)c1cc(CC(C)C)nn1C)c1ccnn1C
InChIInChI=1S/C16H25N5O/c1-6-13(14-7-8-17-20(14)4)18-16(22)15-10-12(9-11(2)3)19-21(15)5/h7-8,10-11,13H,6,9H2,1-5H3,(H,18,22)
InChIKeyZDWIOAGZSXHNEI-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.23
Rot. Bonds6

About 1-methyl-3-(2-methylpropyl)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrazole-5-carboxamide

1-methyl-3-(2-methylpropyl)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrazole-5-carboxamide (PubChem CID 70779406) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-methyl-3-(2-methylpropyl)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-(2-methylpropyl)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrazole-5-carboxamide
PubChem CID70779406
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name1-methyl-3-(2-methylpropyl)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrazole-5-carboxamide
SMILESCCC(NC(=O)c1cc(CC(C)C)nn1C)c1ccnn1C
InChIInChI=1S/C16H25N5O/c1-6-13(14-7-8-17-20(14)4)18-16(22)15-10-12(9-11(2)3)19-21(15)5/h7-8,10-11,13H,6,9H2,1-5H3,(H,18,22)
InChIKeyZDWIOAGZSXHNEI-UHFFFAOYSA-N
XLogP2.23
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

LmCPB-IN-1
CID 145974244
US10022354, Example 59
CID 121279710
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-2-methylpyrazole-3-carboxamide
CID 69925136
US10022354, Example 58
CID 132070185
3-tert-butyl-N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-methylpyrazole-5-carboxamide
CID 162665461
US10022354, Example 165
CID 121279436
US10022354, Example 113
CID 121279595
US10022354, Example 238
CID 121279601
US10022354, Example 112
CID 132070192
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-methyl-1H-pyrazol-5-yl)methyl]acetamide
CID 4765525
N-(2,2-Dimethyl-1-(1H-pyrazol-1-ylmethyl)propyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4771532
3-isobutyl-1-methyl-N-[1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 72848342

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylpropyl)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-(2-methylpropyl)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrazole-5-carboxamide (CID 70779406) is 1-methyl-3-(2-methylpropyl)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-(2-methylpropyl)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-(2-methylpropyl)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrazole-5-carboxamide is CCC(NC(=O)c1cc(CC(C)C)nn1C)c1ccnn1C.
What is the InChIKey of 1-methyl-3-(2-methylpropyl)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrazole-5-carboxamide?
The InChIKey is ZDWIOAGZSXHNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-6-13(14-7-8-17-20(14)4)18-16(22)15-10-12(9-11(2)3)19-21(15)5/h7-8,10-11,13H,6,9H2,1-5H3,(H,18,22).
What are the key properties of 1-methyl-3-(2-methylpropyl)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrazole-5-carboxamide?
1-methyl-3-(2-methylpropyl)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrazole-5-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylpropyl)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrazole-5-carboxamide is sourced from PubChem (CID 70779406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).