2-cyclopropyl-N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

C20H21N5O3 — CID 97122212

IUPAC2-cyclopropyl-N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOc1ccccc1-n1cc([C@H](C)NC(=O)c2cnc(C3CC3)[nH]c2=O)cn1
InChIInChI=1S/C20H21N5O3/c1-12(14-9-22-25(11-14)16-5-3-4-6-17(16)28-2)23-19(26)15-10-21-18(13-7-8-13)24-20(15)27/h3-6,9-13H,7-8H2,1-2H3,(H,23,26)(H,21,24,27)/t12-/m0/s1
InChIKeyGJYRPGRAOKELME-LBPRGKRZSA-N
MW379.42 g/mol
LogP2.33
Rot. Bonds6

About 2-cyclopropyl-N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-cyclopropyl-N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 97122212) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID97122212
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name2-cyclopropyl-N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOc1ccccc1-n1cc([C@H](C)NC(=O)c2cnc(C3CC3)[nH]c2=O)cn1
InChIInChI=1S/C20H21N5O3/c1-12(14-9-22-25(11-14)16-5-3-4-6-17(16)28-2)23-19(26)15-10-21-18(13-7-8-13)24-20(15)27/h3-6,9-13H,7-8H2,1-2H3,(H,23,26)(H,21,24,27)/t12-/m0/s1
InChIKeyGJYRPGRAOKELME-LBPRGKRZSA-N
XLogP2.33
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131939708
1-cyclobutyl-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea
CID 125443355
1-[(1-hydroxycyclohexyl)methyl]-3-[(1R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea
CID 125445589
1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methylurea
CID 125444228
N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 125165825
N-[1-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 74233383
3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methyl-1-[(3-methyloxetan-3-yl)methyl]urea
CID 125436564
1-ethyl-3-[(1R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 125444856
N-[(1S)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97124136
2-cyclopropyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 126443243
N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-4-methoxypiperidine-1-carboxamide
CID 122570470
1-(2-methoxyphenyl)pyrazol-4-ol
CID 117124800

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 97122212) is 2-cyclopropyl-N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is COc1ccccc1-n1cc([C@H](C)NC(=O)c2cnc(C3CC3)[nH]c2=O)cn1.
What is the InChIKey of 2-cyclopropyl-N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is GJYRPGRAOKELME-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-12(14-9-22-25(11-14)16-5-3-4-6-17(16)28-2)23-19(26)15-10-21-18(13-7-8-13)24-20(15)27/h3-6,9-13H,7-8H2,1-2H3,(H,23,26)(H,21,24,27)/t12-/m0/s1.
What are the key properties of 2-cyclopropyl-N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 97122212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).