(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride

C15H25ClN4O — CID 119644750

IUPAC(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCCNCC1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1.Cl
InChIInChI=1S/C15H24N4O.ClH/c1-2-16-10-11-5-7-19(8-6-11)15(20)14-9-13(17-18-14)12-3-4-12;/h9,11-12,16H,2-8,10H2,1H3,(H,17,18);1H
InChIKeyQIRDJIFYDJVOSX-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.17
Rot. Bonds5

About (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride

(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119644750) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119644750
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCCNCC1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1.Cl
InChIInChI=1S/C15H24N4O.ClH/c1-2-16-10-11-5-7-19(8-6-11)15(20)14-9-13(17-18-14)12-3-4-12;/h9,11-12,16H,2-8,10H2,1H3,(H,17,18);1H
InChIKeyQIRDJIFYDJVOSX-UHFFFAOYSA-N
XLogP2.17
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119622124
[4-(ethylaminomethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 119648286
ethyl 1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxylate
CID 19591205
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 46576805
(1S)-N-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide
CID 164640297
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646075
(5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 47403831
(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-ethoxypiperidin-1-yl]methanone
CID 94199651
[4-(ethylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 119645537
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646076
3-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944769
(5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119646070

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride (CID 119644750) is (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride is CCNCC1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1.Cl.
What is the InChIKey of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is QIRDJIFYDJVOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O.ClH/c1-2-16-10-11-5-7-19(8-6-11)15(20)14-9-13(17-18-14)12-3-4-12;/h9,11-12,16H,2-8,10H2,1H3,(H,17,18);1H.
What are the key properties of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 312.85 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119644750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).