1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine;hydrochloride

C19H27ClN4O — CID 56796530

IUPAC1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine;hydrochloride
SMILESCOc1cccc(-c2[nH]ncc2CNC2CCN(C3CC3)CC2)c1.Cl
InChIInChI=1S/C19H26N4O.ClH/c1-24-18-4-2-3-14(11-18)19-15(13-21-22-19)12-20-16-7-9-23(10-8-16)17-5-6-17;/h2-4,11,13,16-17,20H,5-10,12H2,1H3,(H,21,22);1H
InChIKeyQWOXDBJFWRUBGM-UHFFFAOYSA-N
MW362.91 g/mol
LogP3.22
Rot. Bonds6

About 1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine;hydrochloride

1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine;hydrochloride (PubChem CID 56796530) has the molecular formula C19H27ClN4O and a molecular weight of 362.91 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine;hydrochloride
PubChem CID56796530
Molecular FormulaC19H27ClN4O
Molecular Weight362.91 g/mol
Exact Mass362.19
IUPAC Name1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine;hydrochloride
SMILESCOc1cccc(-c2[nH]ncc2CNC2CCN(C3CC3)CC2)c1.Cl
InChIInChI=1S/C19H26N4O.ClH/c1-24-18-4-2-3-14(11-18)19-15(13-21-22-19)12-20-16-7-9-23(10-8-16)17-5-6-17;/h2-4,11,13,16-17,20H,5-10,12H2,1H3,(H,21,22);1H
InChIKeyQWOXDBJFWRUBGM-UHFFFAOYSA-N
XLogP3.22
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine;hydrochloride (CID 56796530) is 1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine;hydrochloride is COc1cccc(-c2[nH]ncc2CNC2CCN(C3CC3)CC2)c1.Cl.
What is the InChIKey of 1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine;hydrochloride?
The InChIKey is QWOXDBJFWRUBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.ClH/c1-24-18-4-2-3-14(11-18)19-15(13-21-22-19)12-20-16-7-9-23(10-8-16)17-5-6-17;/h2-4,11,13,16-17,20H,5-10,12H2,1H3,(H,21,22);1H.
What are the key properties of 1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine;hydrochloride?
1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine;hydrochloride has a molecular weight of 362.91 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 56796530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).