2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide

C20H28N4O — CID 56816908

IUPAC2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESCC(C)N(CC(=O)NCC1(c2ccccc2)CC1)Cc1cnn(C)c1
InChIInChI=1S/C20H28N4O/c1-16(2)24(13-17-11-22-23(3)12-17)14-19(25)21-15-20(9-10-20)18-7-5-4-6-8-18/h4-8,11-12,16H,9-10,13-15H2,1-3H3,(H,21,25)
InChIKeyTZQSDWFDCMGZCF-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.48
Rot. Bonds8

About 2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide

2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide (PubChem CID 56816908) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
PubChem CID56816908
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESCC(C)N(CC(=O)NCC1(c2ccccc2)CC1)Cc1cnn(C)c1
InChIInChI=1S/C20H28N4O/c1-16(2)24(13-17-11-22-23(3)12-17)14-19(25)21-15-20(9-10-20)18-7-5-4-6-8-18/h4-8,11-12,16H,9-10,13-15H2,1-3H3,(H,21,25)
InChIKeyTZQSDWFDCMGZCF-UHFFFAOYSA-N
XLogP2.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[(1-phenylcyclopropyl)methyl]-1-propan-2-ylurea
CID 113213861
N-[2-(4-chlorophenoxy)ethyl]-2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide
CID 55916272
3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid
CID 119911689
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 34557487
1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 94183164
2-[2-cyanopropyl(methyl)amino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 47545886
2-[1-(4-ethylphenyl)ethylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 112810943
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide
CID 110467135
N-[(1-methylpyrazol-4-yl)methyl]-N-[2-[(R)-phenylsulfinyl]ethyl]propan-2-amine
CID 95323085
2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid
CID 122120195
N-[(1-methylpyrazol-4-yl)methyl]-4-oxo-4-phenyl-N-propan-2-ylbutanamide
CID 51090804

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide (CID 56816908) is 2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide is CC(C)N(CC(=O)NCC1(c2ccccc2)CC1)Cc1cnn(C)c1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide?
The InChIKey is TZQSDWFDCMGZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-16(2)24(13-17-11-22-23(3)12-17)14-19(25)21-15-20(9-10-20)18-7-5-4-6-8-18/h4-8,11-12,16H,9-10,13-15H2,1-3H3,(H,21,25).
What are the key properties of 2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide?
2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide is sourced from PubChem (CID 56816908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).