N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide

C15H21N5O — CID 72894076

IUPACN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)N(C)Cc1cc(C2CC2)n[nH]1)n1cccn1
InChIInChI=1S/C15H21N5O/c1-3-14(20-8-4-7-16-20)15(21)19(2)10-12-9-13(18-17-12)11-5-6-11/h4,7-9,11,14H,3,5-6,10H2,1-2H3,(H,17,18)
InChIKeyFQHNCOWAPAFPBM-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.09
Rot. Bonds6

About N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide (PubChem CID 72894076) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide
PubChem CID72894076
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)N(C)Cc1cc(C2CC2)n[nH]1)n1cccn1
InChIInChI=1S/C15H21N5O/c1-3-14(20-8-4-7-16-20)15(21)19(2)10-12-9-13(18-17-12)11-5-6-11/h4,7-9,11,14H,3,5-6,10H2,1-2H3,(H,17,18)
InChIKeyFQHNCOWAPAFPBM-UHFFFAOYSA-N
XLogP2.09
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide with MolForge

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Related Compounds

US10022354, Example 59
CID 121279710
US10022354, Example 165
CID 121279436
US10022354, Example 112
CID 132070192
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,3-dimethyl-1H-pyrazol-4-yl)acetamide
CID 843837
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-methyl-1H-pyrazol-5-yl)methyl]acetamide
CID 4765525
3-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-methyl-1H-pyrazol-5-yl)methyl]propanamide
CID 4770006
US10022354, Example 37
CID 121279685
US10022354, Example 162
CID 132070202
N-[(5-isobutyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide
CID 70721099
2-(1-methylpyrazol-4-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 71926885
1H-pyrazol-5-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 72143551
3-(4-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 72148217

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide?
The IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide (CID 72894076) is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide is CCC(C(=O)N(C)Cc1cc(C2CC2)n[nH]1)n1cccn1.
What is the InChIKey of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide?
The InChIKey is FQHNCOWAPAFPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-14(20-8-4-7-16-20)15(21)19(2)10-12-9-13(18-17-12)11-5-6-11/h4,7-9,11,14H,3,5-6,10H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide?
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide has a molecular weight of 287.37 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 72894076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).