4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperazine-1-carboxamide

C19H26N6O2 — CID 118779122

IUPAC4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperazine-1-carboxamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)Nc2cccc(-c3ccn[nH]3)c2)CC1
InChIInChI=1S/C19H26N6O2/c1-14(2)21-18(26)13-24-8-10-25(11-9-24)19(27)22-16-5-3-4-15(12-16)17-6-7-20-23-17/h3-7,12,14H,8-11,13H2,1-2H3,(H,20,23)(H,21,26)(H,22,27)
InChIKeyGVPFNDYOOOWESL-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.75
Rot. Bonds5

About 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperazine-1-carboxamide

4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperazine-1-carboxamide (PubChem CID 118779122) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperazine-1-carboxamide
PubChem CID118779122
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperazine-1-carboxamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)Nc2cccc(-c3ccn[nH]3)c2)CC1
InChIInChI=1S/C19H26N6O2/c1-14(2)21-18(26)13-24-8-10-25(11-9-24)19(27)22-16-5-3-4-15(12-16)17-6-7-20-23-17/h3-7,12,14H,8-11,13H2,1-2H3,(H,20,23)(H,21,26)(H,22,27)
InChIKeyGVPFNDYOOOWESL-UHFFFAOYSA-N
XLogP1.75
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-[3-(1H-pyrazol-5-yl)phenyl]azepane-1-carboxamide
CID 79157648
1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122090082
1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122090086
N-[3-(3-chlorophenyl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 74237755
2-cyclopropyl-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 37044565
2-amino-4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 43711252
2-(tert-butylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 47842566
1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 60969581
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 115949454
N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide
CID 125442093
2-(prop-2-enylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 79285096
1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 139434928

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperazine-1-carboxamide (CID 118779122) is 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperazine-1-carboxamide is CC(C)NC(=O)CN1CCN(C(=O)Nc2cccc(-c3ccn[nH]3)c2)CC1.
What is the InChIKey of 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is GVPFNDYOOOWESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-14(2)21-18(26)13-24-8-10-25(11-9-24)19(27)22-16-5-3-4-15(12-16)17-6-7-20-23-17/h3-7,12,14H,8-11,13H2,1-2H3,(H,20,23)(H,21,26)(H,22,27).
What are the key properties of 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperazine-1-carboxamide?
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 118779122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).