1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxopyrrolidin-3-yl]pyrazole-5-carboxamide

C14H22N4O2 — CID 97136741

IUPAC1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxopyrrolidin-3-yl]pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)N[C@H]1CCNC1=O
InChIInChI=1S/C14H22N4O2/c1-4-18-12(8-10(17-18)7-9(2)3)14(20)16-11-5-6-15-13(11)19/h8-9,11H,4-7H2,1-3H3,(H,15,19)(H,16,20)/t11-/m0/s1
InChIKeyHZBAQBPENMSABV-NSHDSACASA-N
MW278.36 g/mol
LogP0.72
Rot. Bonds5

About 1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxopyrrolidin-3-yl]pyrazole-5-carboxamide

1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxopyrrolidin-3-yl]pyrazole-5-carboxamide (PubChem CID 97136741) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxopyrrolidin-3-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxopyrrolidin-3-yl]pyrazole-5-carboxamide
PubChem CID97136741
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxopyrrolidin-3-yl]pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)N[C@H]1CCNC1=O
InChIInChI=1S/C14H22N4O2/c1-4-18-12(8-10(17-18)7-9(2)3)14(20)16-11-5-6-15-13(11)19/h8-9,11H,4-7H2,1-3H3,(H,15,19)(H,16,20)/t11-/m0/s1
InChIKeyHZBAQBPENMSABV-NSHDSACASA-N
XLogP0.72
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxopyrrolidin-3-yl]pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxopyrrolidin-3-yl]pyrazole-5-carboxamide (CID 97136741) is 1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxopyrrolidin-3-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxopyrrolidin-3-yl]pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxopyrrolidin-3-yl]pyrazole-5-carboxamide is CCn1nc(CC(C)C)cc1C(=O)N[C@H]1CCNC1=O.
What is the InChIKey of 1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxopyrrolidin-3-yl]pyrazole-5-carboxamide?
The InChIKey is HZBAQBPENMSABV-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-18-12(8-10(17-18)7-9(2)3)14(20)16-11-5-6-15-13(11)19/h8-9,11H,4-7H2,1-3H3,(H,15,19)(H,16,20)/t11-/m0/s1.
What are the key properties of 1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxopyrrolidin-3-yl]pyrazole-5-carboxamide?
1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxopyrrolidin-3-yl]pyrazole-5-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxopyrrolidin-3-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 97136741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).