(2S)-N-cyclopropyl-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazine-2-carboxamide

C18H29N5O2 — CID 95722133

IUPAC(2S)-N-cyclopropyl-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazine-2-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCNC[C@H]1C(=O)NC1CC1
InChIInChI=1S/C18H29N5O2/c1-4-23-15(10-14(21-23)9-12(2)3)18(25)22-8-7-19-11-16(22)17(24)20-13-5-6-13/h10,12-13,16,19H,4-9,11H2,1-3H3,(H,20,24)/t16-/m0/s1
InChIKeyXGTYMRVVPYRYIV-INIZCTEOSA-N
MW347.46 g/mol
LogP0.79
Rot. Bonds6

About (2S)-N-cyclopropyl-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazine-2-carboxamide

(2S)-N-cyclopropyl-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazine-2-carboxamide (PubChem CID 95722133) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazine-2-carboxamide
PubChem CID95722133
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(2S)-N-cyclopropyl-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazine-2-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCNC[C@H]1C(=O)NC1CC1
InChIInChI=1S/C18H29N5O2/c1-4-23-15(10-14(21-23)9-12(2)3)18(25)22-8-7-19-11-16(22)17(24)20-13-5-6-13/h10,12-13,16,19H,4-9,11H2,1-3H3,(H,20,24)/t16-/m0/s1
InChIKeyXGTYMRVVPYRYIV-INIZCTEOSA-N
XLogP0.79
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopropyl-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazine-2-carboxamide (CID 95722133) is (2S)-N-cyclopropyl-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopropyl-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopropyl-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazine-2-carboxamide is CCn1nc(CC(C)C)cc1C(=O)N1CCNC[C@H]1C(=O)NC1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazine-2-carboxamide?
The InChIKey is XGTYMRVVPYRYIV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-4-23-15(10-14(21-23)9-12(2)3)18(25)22-8-7-19-11-16(22)17(24)20-13-5-6-13/h10,12-13,16,19H,4-9,11H2,1-3H3,(H,20,24)/t16-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazine-2-carboxamide?
(2S)-N-cyclopropyl-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazine-2-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazine-2-carboxamide is sourced from PubChem (CID 95722133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).