N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-propylpyrrolidine-3-carboxamide

C13H21N5O2 — CID 63139510

IUPACN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2cnn(CC(N)=O)c2)CCNC1
InChIInChI=1S/C13H21N5O2/c1-2-3-13(4-5-15-9-13)12(20)17-10-6-16-18(7-10)8-11(14)19/h6-7,15H,2-5,8-9H2,1H3,(H2,14,19)(H,17,20)
InChIKeyBGRJMPIRWDCTAC-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.09
Rot. Bonds6

About N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-propylpyrrolidine-3-carboxamide

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-propylpyrrolidine-3-carboxamide (PubChem CID 63139510) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-propylpyrrolidine-3-carboxamide
PubChem CID63139510
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2cnn(CC(N)=O)c2)CCNC1
InChIInChI=1S/C13H21N5O2/c1-2-3-13(4-5-15-9-13)12(20)17-10-6-16-18(7-10)8-11(14)19/h6-7,15H,2-5,8-9H2,1H3,(H2,14,19)(H,17,20)
InChIKeyBGRJMPIRWDCTAC-UHFFFAOYSA-N
XLogP0.09
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3-propylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 63135004
N-(1-ethylpyrazol-4-yl)-3-propylpiperidine-3-carboxamide
CID 55166040
1-(aminomethyl)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]cyclopentane-1-carboxamide
CID 81489718
3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63138545
N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139935
2-[4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 106980427
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 51090234
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119728672
N-(3-carbamoyl-4-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139068
2-[4-(butylamino)pyrazol-1-yl]acetamide
CID 43695314
N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide
CID 55164937
N-(5-bromo-4-methyl-2-pyridinyl)-3-propylpyrrolidine-3-carboxamide
CID 79734821

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-propylpyrrolidine-3-carboxamide (CID 63139510) is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)Nc2cnn(CC(N)=O)c2)CCNC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-propylpyrrolidine-3-carboxamide?
The InChIKey is BGRJMPIRWDCTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-2-3-13(4-5-15-9-13)12(20)17-10-6-16-18(7-10)8-11(14)19/h6-7,15H,2-5,8-9H2,1H3,(H2,14,19)(H,17,20).
What are the key properties of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-propylpyrrolidine-3-carboxamide?
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-propylpyrrolidine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63139510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).