4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride

C16H24ClN5O — CID 120962758

IUPAC4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCc1nn(-c2ccccn2)c(C)c1CNCC1CNCC1O.Cl
InChIInChI=1S/C16H23N5O.ClH/c1-11-14(9-17-7-13-8-18-10-15(13)22)12(2)21(20-11)16-5-3-4-6-19-16;/h3-6,13,15,17-18,22H,7-10H2,1-2H3;1H
InChIKeyDDCPXOZFXWGZQV-UHFFFAOYSA-N
MW337.86 g/mol
LogP0.98
Rot. Bonds5

About 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride

4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 120962758) has the molecular formula C16H24ClN5O and a molecular weight of 337.86 g/mol. Its IUPAC name is 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
PubChem CID120962758
Molecular FormulaC16H24ClN5O
Molecular Weight337.86 g/mol
Exact Mass337.17
IUPAC Name4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCc1nn(-c2ccccn2)c(C)c1CNCC1CNCC1O.Cl
InChIInChI=1S/C16H23N5O.ClH/c1-11-14(9-17-7-13-8-18-10-15(13)22)12(2)21(20-11)16-5-3-4-6-19-16;/h3-6,13,15,17-18,22H,7-10H2,1-2H3;1H
InChIKeyDDCPXOZFXWGZQV-UHFFFAOYSA-N
XLogP0.98
TPSA75.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.86
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aS,6aR)-5-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 120846063
4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol
CID 120961741
4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]oxan-4-ol
CID 138993196
4-[[[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962574
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120833599
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909142
4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]-N,N-dimethyloxan-4-amine
CID 138993211
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine
CID 120909143
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120948428
4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961758
4-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962374
N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
CID 91629332

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride (CID 120962758) is 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride is Cc1nn(-c2ccccn2)c(C)c1CNCC1CNCC1O.Cl.
What is the InChIKey of 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is DDCPXOZFXWGZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O.ClH/c1-11-14(9-17-7-13-8-18-10-15(13)22)12(2)21(20-11)16-5-3-4-6-19-16;/h3-6,13,15,17-18,22H,7-10H2,1-2H3;1H.
What are the key properties of 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 337.86 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 120962758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).