1-[(6-chloro-2H-chromen-3-yl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol

C17H20ClN3O2 — CID 111457728

IUPAC1-[(6-chloro-2H-chromen-3-yl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCn1cc(C(C)(O)CNCC2=Cc3cc(Cl)ccc3OC2)cn1
InChIInChI=1S/C17H20ClN3O2/c1-17(22,14-8-20-21(2)9-14)11-19-7-12-5-13-6-15(18)3-4-16(13)23-10-12/h3-6,8-9,19,22H,7,10-11H2,1-2H3
InChIKeyUJEUJRGNSWJFCG-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.35
Rot. Bonds5

About 1-[(6-chloro-2H-chromen-3-yl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol

1-[(6-chloro-2H-chromen-3-yl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 111457728) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 1-[(6-chloro-2H-chromen-3-yl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-2H-chromen-3-yl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
PubChem CID111457728
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name1-[(6-chloro-2H-chromen-3-yl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCn1cc(C(C)(O)CNCC2=Cc3cc(Cl)ccc3OC2)cn1
InChIInChI=1S/C17H20ClN3O2/c1-17(22,14-8-20-21(2)9-14)11-19-7-12-5-13-6-15(18)3-4-16(13)23-10-12/h3-6,8-9,19,22H,7,10-11H2,1-2H3
InChIKeyUJEUJRGNSWJFCG-UHFFFAOYSA-N
XLogP2.35
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(6-chloro-2H-chromen-3-yl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol 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

(2R)-1-[(4-chloro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 99626808
N-[(6-chloro-2H-chromen-3-yl)methyl]ethanamine
CID 115615997
N-[(6-chloro-2H-chromen-3-yl)methyl]propan-1-amine
CID 115605423
1-(6-chloro-2H-chromen-3-yl)-N-methylmethanamine;hydrochloride
CID 115616011
1-[(4-ethylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457689
[2-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]phenyl]methanol
CID 110922653
1-[(4-fluoro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457702
(2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 97223061
1-(methylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66036984
3-[(6-chloro-2H-chromen-3-yl)methylamino]-4-methoxy-3-methylbutan-1-ol
CID 111824912
1-[[3-(2-methylphenyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457630
4-[[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methyl]-N-methylbenzamide
CID 111457597

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2H-chromen-3-yl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 1-[(6-chloro-2H-chromen-3-yl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol (CID 111457728) is 1-[(6-chloro-2H-chromen-3-yl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-[(6-chloro-2H-chromen-3-yl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1-[(6-chloro-2H-chromen-3-yl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol is Cn1cc(C(C)(O)CNCC2=Cc3cc(Cl)ccc3OC2)cn1.
What is the InChIKey of 1-[(6-chloro-2H-chromen-3-yl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The InChIKey is UJEUJRGNSWJFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-17(22,14-8-20-21(2)9-14)11-19-7-12-5-13-6-15(18)3-4-16(13)23-10-12/h3-6,8-9,19,22H,7,10-11H2,1-2H3.
What are the key properties of 1-[(6-chloro-2H-chromen-3-yl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
1-[(6-chloro-2H-chromen-3-yl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 333.82 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2H-chromen-3-yl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 111457728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).