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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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).