N,N-dimethyl-3-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]propan-1-amine

C18H21N5 — CID 28784014

IUPACN,N-dimethyl-3-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]propan-1-amine
SMILESCN(C)CCCn1ccc(-c2cccc(-c3cncnc3)c2)n1
InChIInChI=1S/C18H21N5/c1-22(2)8-4-9-23-10-7-18(21-23)16-6-3-5-15(11-16)17-12-19-14-20-13-17/h3,5-7,10-14H,4,8-9H2,1-2H3
InChIKeyQWWRMLFNOQJCHT-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.96
Rot. Bonds6

About N,N-dimethyl-3-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]propan-1-amine

N,N-dimethyl-3-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]propan-1-amine (PubChem CID 28784014) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]propan-1-amine
PubChem CID28784014
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC NameN,N-dimethyl-3-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]propan-1-amine
SMILESCN(C)CCCn1ccc(-c2cccc(-c3cncnc3)c2)n1
InChIInChI=1S/C18H21N5/c1-22(2)8-4-9-23-10-7-18(21-23)16-6-3-5-15(11-16)17-12-19-14-20-13-17/h3,5-7,10-14H,4,8-9H2,1-2H3
InChIKeyQWWRMLFNOQJCHT-UHFFFAOYSA-N
XLogP2.96
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-[1-(4,4,4-trifluorobutyl)pyrazol-3-yl]phenyl]pyrimidine
CID 29258824
5-[3-[1-(2-ethylsulfanylethyl)pyrazol-3-yl]phenyl]pyrimidine
CID 56853431
(2R)-1-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]butan-2-ol
CID 28734619
2-[3-(3-bromophenyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 174281204
5-[3-[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]phenyl]pyrimidine
CID 28871478
3-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]propan-1-ol
CID 29068891
N-(1-phenylethyl)-2-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]acetamide
CID 45177485
5-(3-pyrimidin-5-ylphenyl)pyrimidine
CID 101127667
3-methoxy-6-[3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl]pyridazine
CID 31125984
N,N-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
CID 114526778
3-(3-phenylpyrazol-1-yl)propan-1-amine
CID 57225194
N,N-dimethyl-6-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]pyrimidin-4-amine
CID 29150663

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]propan-1-amine (CID 28784014) is N,N-dimethyl-3-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]propan-1-amine is CN(C)CCCn1ccc(-c2cccc(-c3cncnc3)c2)n1.
What is the InChIKey of N,N-dimethyl-3-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]propan-1-amine?
The InChIKey is QWWRMLFNOQJCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-22(2)8-4-9-23-10-7-18(21-23)16-6-3-5-15(11-16)17-12-19-14-20-13-17/h3,5-7,10-14H,4,8-9H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]propan-1-amine?
N,N-dimethyl-3-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]propan-1-amine has a molecular weight of 307.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 28784014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).