(4-cyclopropyl-2-methylpiperazin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone

C18H30N4O — CID 157016753

IUPAC(4-cyclopropyl-2-methylpiperazin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCN(C2CC2)CC1C
InChIInChI=1S/C18H30N4O/c1-5-22-17(11-15(19-22)10-13(2)3)18(23)21-9-8-20(12-14(21)4)16-6-7-16/h11,13-14,16H,5-10,12H2,1-4H3
InChIKeyPRZGUHRXIICKLB-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.41
Rot. Bonds5

About (4-cyclopropyl-2-methylpiperazin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone

(4-cyclopropyl-2-methylpiperazin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone (PubChem CID 157016753) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is (4-cyclopropyl-2-methylpiperazin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2-methylpiperazin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
PubChem CID157016753
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name(4-cyclopropyl-2-methylpiperazin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCN(C2CC2)CC1C
InChIInChI=1S/C18H30N4O/c1-5-22-17(11-15(19-22)10-13(2)3)18(23)21-9-8-20(12-14(21)4)16-6-7-16/h11,13-14,16H,5-10,12H2,1-4H3
InChIKeyPRZGUHRXIICKLB-UHFFFAOYSA-N
XLogP2.41
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 74238983
[(4aR,7aS)-1-methyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 70753004
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 97116000
(2S,4S)-4-amino-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 70770502
(3R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carboxamide
CID 97136755
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 70779113
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56755087
(2S)-N-cyclopropyl-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazine-2-carboxamide
CID 95722133
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
CID 72878455
N-[(3R,4S)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
CID 133132402
5-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 72915923
1-ethyl-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70730522

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2-methylpiperazin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The IUPAC name of (4-cyclopropyl-2-methylpiperazin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone (CID 157016753) is (4-cyclopropyl-2-methylpiperazin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone.
What is the SMILES notation for (4-cyclopropyl-2-methylpiperazin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The canonical SMILES for (4-cyclopropyl-2-methylpiperazin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone is CCn1nc(CC(C)C)cc1C(=O)N1CCN(C2CC2)CC1C.
What is the InChIKey of (4-cyclopropyl-2-methylpiperazin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The InChIKey is PRZGUHRXIICKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-5-22-17(11-15(19-22)10-13(2)3)18(23)21-9-8-20(12-14(21)4)16-6-7-16/h11,13-14,16H,5-10,12H2,1-4H3.
What are the key properties of (4-cyclopropyl-2-methylpiperazin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
(4-cyclopropyl-2-methylpiperazin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone has a molecular weight of 318.47 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2-methylpiperazin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone is sourced from PubChem (CID 157016753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).