1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3S)-oxolan-3-yl]-N-propan-2-ylpyrazole-4-carboxamide

C19H30N4O3 — CID 164635686

IUPAC1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3S)-oxolan-3-yl]-N-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)N(C(=O)c1cnn(CC(=O)NC2CCCCC2)c1)[C@H]1CCOC1
InChIInChI=1S/C19H30N4O3/c1-14(2)23(17-8-9-26-13-17)19(25)15-10-20-22(11-15)12-18(24)21-16-6-4-3-5-7-16/h10-11,14,16-17H,3-9,12-13H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyYOXLKEAJFMLDRA-KRWDZBQOSA-N
MW362.47 g/mol
LogP1.97
Rot. Bonds6

About 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3S)-oxolan-3-yl]-N-propan-2-ylpyrazole-4-carboxamide

1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3S)-oxolan-3-yl]-N-propan-2-ylpyrazole-4-carboxamide (PubChem CID 164635686) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3S)-oxolan-3-yl]-N-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3S)-oxolan-3-yl]-N-propan-2-ylpyrazole-4-carboxamide
PubChem CID164635686
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3S)-oxolan-3-yl]-N-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)N(C(=O)c1cnn(CC(=O)NC2CCCCC2)c1)[C@H]1CCOC1
InChIInChI=1S/C19H30N4O3/c1-14(2)23(17-8-9-26-13-17)19(25)15-10-20-22(11-15)12-18(24)21-16-6-4-3-5-7-16/h10-11,14,16-17H,3-9,12-13H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyYOXLKEAJFMLDRA-KRWDZBQOSA-N
XLogP1.97
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3S)-oxolan-3-yl]-N-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3S)-oxolan-3-yl]-N-propan-2-ylpyrazole-4-carboxamide (CID 164635686) is 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3S)-oxolan-3-yl]-N-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3S)-oxolan-3-yl]-N-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3S)-oxolan-3-yl]-N-propan-2-ylpyrazole-4-carboxamide is CC(C)N(C(=O)c1cnn(CC(=O)NC2CCCCC2)c1)[C@H]1CCOC1.
What is the InChIKey of 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3S)-oxolan-3-yl]-N-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is YOXLKEAJFMLDRA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-14(2)23(17-8-9-26-13-17)19(25)15-10-20-22(11-15)12-18(24)21-16-6-4-3-5-7-16/h10-11,14,16-17H,3-9,12-13H2,1-2H3,(H,21,24)/t17-/m0/s1.
What are the key properties of 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3S)-oxolan-3-yl]-N-propan-2-ylpyrazole-4-carboxamide?
1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3S)-oxolan-3-yl]-N-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3S)-oxolan-3-yl]-N-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 164635686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).