N-[(2S)-1-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide

C19H29N5O3 — CID 90763312

IUPACN-[(2S)-1-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide
SMILESCC(=O)NC1CC(c2cc(NC(=O)[C@H](C)NC(=O)C3CCCCC3)n[nH]2)C1
InChIInChI=1S/C19H29N5O3/c1-11(20-19(27)13-6-4-3-5-7-13)18(26)22-17-10-16(23-24-17)14-8-15(9-14)21-12(2)25/h10-11,13-15H,3-9H2,1-2H3,(H,20,27)(H,21,25)(H2,22,23,24,26)/t11-,14?,15?/m0/s1
InChIKeyABJWGBILUKALRT-QGLTVNCISA-N
MW375.47 g/mol
LogP1.82
Rot. Bonds6

About N-[(2S)-1-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide

N-[(2S)-1-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide (PubChem CID 90763312) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(2S)-1-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide
PubChem CID90763312
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC NameN-[(2S)-1-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide
SMILESCC(=O)NC1CC(c2cc(NC(=O)[C@H](C)NC(=O)C3CCCCC3)n[nH]2)C1
InChIInChI=1S/C19H29N5O3/c1-11(20-19(27)13-6-4-3-5-7-13)18(26)22-17-10-16(23-24-17)14-8-15(9-14)21-12(2)25/h10-11,13-15H,3-9H2,1-2H3,(H,20,27)(H,21,25)(H2,22,23,24,26)/t11-,14?,15?/m0/s1
InChIKeyABJWGBILUKALRT-QGLTVNCISA-N
XLogP1.82
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2S)-1-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide (CID 90763312) is N-[(2S)-1-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2S)-1-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2S)-1-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide is CC(=O)NC1CC(c2cc(NC(=O)[C@H](C)NC(=O)C3CCCCC3)n[nH]2)C1.
What is the InChIKey of N-[(2S)-1-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide?
The InChIKey is ABJWGBILUKALRT-QGLTVNCISA-N. The full InChI is InChI=1S/C19H29N5O3/c1-11(20-19(27)13-6-4-3-5-7-13)18(26)22-17-10-16(23-24-17)14-8-15(9-14)21-12(2)25/h10-11,13-15H,3-9H2,1-2H3,(H,20,27)(H,21,25)(H2,22,23,24,26)/t11-,14?,15?/m0/s1.
What are the key properties of N-[(2S)-1-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide?
N-[(2S)-1-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide has a molecular weight of 375.47 g/mol, XLogP of 1.82, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 90763312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).