N-methyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride

C16H23ClN4 — CID 119922019

IUPACN-methyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCNCC1CCN(Cc2ccn(-c3ccccc3)n2)C1.Cl
InChIInChI=1S/C16H22N4.ClH/c1-17-11-14-7-9-19(12-14)13-15-8-10-20(18-15)16-5-3-2-4-6-16;/h2-6,8,10,14,17H,7,9,11-13H2,1H3;1H
InChIKeyZIVOBKLORGBPKT-UHFFFAOYSA-N
MW306.84 g/mol
LogP2.34
Rot. Bonds5

About N-methyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride

N-methyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 119922019) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is N-methyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID119922019
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC NameN-methyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCNCC1CCN(Cc2ccn(-c3ccccc3)n2)C1.Cl
InChIInChI=1S/C16H22N4.ClH/c1-17-11-14-7-9-19(12-14)13-15-8-10-20(18-15)16-5-3-2-4-6-16;/h2-6,8,10,14,17H,7,9,11-13H2,1H3;1H
InChIKeyZIVOBKLORGBPKT-UHFFFAOYSA-N
XLogP2.34
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride
CID 119919223
[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
CID 62885174
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115966906
1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63595893
1-[(1-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 62885515
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 64783589
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
N-methyl-1-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 81319065
N-methyl-1-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120838430
4-cyclopropyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]triazole
CID 138025120
1-[1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 81493001

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride (CID 119922019) is N-methyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride is CNCC1CCN(Cc2ccn(-c3ccccc3)n2)C1.Cl.
What is the InChIKey of N-methyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is ZIVOBKLORGBPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4.ClH/c1-17-11-14-7-9-19(12-14)13-15-8-10-20(18-15)16-5-3-2-4-6-16;/h2-6,8,10,14,17H,7,9,11-13H2,1H3;1H.
What are the key properties of N-methyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
N-methyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119922019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).