N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-oxo-4-propylpiperazine-1-carboxamide

C19H24FN5O2 — CID 125447213

IUPACN-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-oxo-4-propylpiperazine-1-carboxamide
SMILESCCCN1CCN(C(=O)N[C@@H](C)c2cnn(-c3ccccc3F)c2)CC1=O
InChIInChI=1S/C19H24FN5O2/c1-3-8-23-9-10-24(13-18(23)26)19(27)22-14(2)15-11-21-25(12-15)17-7-5-4-6-16(17)20/h4-7,11-12,14H,3,8-10,13H2,1-2H3,(H,22,27)/t14-/m0/s1
InChIKeyYABJOGFKXALSAT-AWEZNQCLSA-N
MW373.43 g/mol
LogP2.34
Rot. Bonds5

About N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-oxo-4-propylpiperazine-1-carboxamide

N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-oxo-4-propylpiperazine-1-carboxamide (PubChem CID 125447213) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-oxo-4-propylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-oxo-4-propylpiperazine-1-carboxamide
PubChem CID125447213
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC NameN-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-oxo-4-propylpiperazine-1-carboxamide
SMILESCCCN1CCN(C(=O)N[C@@H](C)c2cnn(-c3ccccc3F)c2)CC1=O
InChIInChI=1S/C19H24FN5O2/c1-3-8-23-9-10-24(13-18(23)26)19(27)22-14(2)15-11-21-25(12-15)17-7-5-4-6-16(17)20/h4-7,11-12,14H,3,8-10,13H2,1-2H3,(H,22,27)/t14-/m0/s1
InChIKeyYABJOGFKXALSAT-AWEZNQCLSA-N
XLogP2.34
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-4-methoxypiperidine-1-carboxamide
CID 122570470
2-(4-ethylpiperazin-1-yl)-N-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]acetamide
CID 125176662
2-(cyclopropylmethylsulfanyl)-N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]acetamide
CID 126438730
N-[(1S)-1,2-diphenylethyl]-3-oxo-4-propylpiperazine-1-carboxamide
CID 126429089
N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-2-methoxy-2-methylpropanamide
CID 125170397
1-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 125441973
1-cyclopropyl-3-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 125439921
2-[(4-butyl-3-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid
CID 70619630
8-methyl-N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 126434651
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653
1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one
CID 134608302
N-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 71856412

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-oxo-4-propylpiperazine-1-carboxamide?
The IUPAC name of N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-oxo-4-propylpiperazine-1-carboxamide (CID 125447213) is N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-oxo-4-propylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-oxo-4-propylpiperazine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-oxo-4-propylpiperazine-1-carboxamide is CCCN1CCN(C(=O)N[C@@H](C)c2cnn(-c3ccccc3F)c2)CC1=O.
What is the InChIKey of N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-oxo-4-propylpiperazine-1-carboxamide?
The InChIKey is YABJOGFKXALSAT-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-3-8-23-9-10-24(13-18(23)26)19(27)22-14(2)15-11-21-25(12-15)17-7-5-4-6-16(17)20/h4-7,11-12,14H,3,8-10,13H2,1-2H3,(H,22,27)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-oxo-4-propylpiperazine-1-carboxamide?
N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-oxo-4-propylpiperazine-1-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-oxo-4-propylpiperazine-1-carboxamide is sourced from PubChem (CID 125447213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).