4-[[[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride

C19H29ClN4O2 — CID 120962574

IUPAC4-[[[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCOc1ccc(Cn2nc(C)c(CNCC3CNCC3O)c2C)cc1.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-13-18(10-20-8-16-9-21-11-19(16)24)14(2)23(22-13)12-15-4-6-17(25-3)7-5-15;/h4-7,16,19-21,24H,8-12H2,1-3H3;1H
InChIKeyPTBUVIGTTWNGLL-UHFFFAOYSA-N
MW380.92 g/mol
LogP1.65
Rot. Bonds7

About 4-[[[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride

4-[[[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 120962574) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 4-[[[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[[[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
PubChem CID120962574
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC Name4-[[[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCOc1ccc(Cn2nc(C)c(CNCC3CNCC3O)c2C)cc1.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-13-18(10-20-8-16-9-21-11-19(16)24)14(2)23(22-13)12-15-4-6-17(25-3)7-5-15;/h4-7,16,19-21,24H,8-12H2,1-3H3;1H
InChIKeyPTBUVIGTTWNGLL-UHFFFAOYSA-N
XLogP1.65
TPSA71.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-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

4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962307
4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962758
4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962514
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120945256
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 51326943
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119694423
N-[[3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 43647830
4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120962643
4-[[(3-bromo-4-methylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120963056
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119694438
4-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962374
N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9208102

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 4-[[[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride (CID 120962574) is 4-[[[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 4-[[[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 4-[[[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride is COc1ccc(Cn2nc(C)c(CNCC3CNCC3O)c2C)cc1.Cl.
What is the InChIKey of 4-[[[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is PTBUVIGTTWNGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.ClH/c1-13-18(10-20-8-16-9-21-11-19(16)24)14(2)23(22-13)12-15-4-6-17(25-3)7-5-15;/h4-7,16,19-21,24H,8-12H2,1-3H3;1H.
What are the key properties of 4-[[[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
4-[[[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 120962574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).