N-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide

C15H25N5O2 — CID 119604552

IUPACN-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)N(C)CC(=O)NC1CCCC1CN)n1cccn1
InChIInChI=1S/C15H25N5O2/c1-11(20-8-4-7-17-20)15(22)19(2)10-14(21)18-13-6-3-5-12(13)9-16/h4,7-8,11-13H,3,5-6,9-10,16H2,1-2H3,(H,18,21)
InChIKeyZKTINQUATRFLPJ-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.15
Rot. Bonds6

About N-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide

N-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide (PubChem CID 119604552) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
PubChem CID119604552
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC NameN-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)N(C)CC(=O)NC1CCCC1CN)n1cccn1
InChIInChI=1S/C15H25N5O2/c1-11(20-8-4-7-17-20)15(22)19(2)10-14(21)18-13-6-3-5-12(13)9-16/h4,7-8,11-13H,3,5-6,9-10,16H2,1-2H3,(H,18,21)
InChIKeyZKTINQUATRFLPJ-UHFFFAOYSA-N
XLogP0.15
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dicyclopropylmethylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 87022204
N-[2-[3-(aminomethyl)pentan-3-ylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 119571531
N-[2-(3-aminopropylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 119408371
N-methyl-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 119463887
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 86822678
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 119668171
N-methyl-N-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide
CID 119546336
N-methyl-N-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide
CID 119444051
N-methyl-N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 119651623
3-[methyl(2-pyrazol-1-ylpropanoyl)amino]propanoic acid
CID 60988614
N-[2-(aminomethyl)cyclopentyl]-2-[ethylsulfonyl(methyl)amino]acetamide
CID 119602359
N-[2-[2-(4-tert-butylphenyl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 86829297

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide (CID 119604552) is N-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide is CC(C(=O)N(C)CC(=O)NC1CCCC1CN)n1cccn1.
What is the InChIKey of N-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The InChIKey is ZKTINQUATRFLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-11(20-8-4-7-17-20)15(22)19(2)10-14(21)18-13-6-3-5-12(13)9-16/h4,7-8,11-13H,3,5-6,9-10,16H2,1-2H3,(H,18,21).
What are the key properties of N-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
N-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide has a molecular weight of 307.40 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 119604552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).