N,N-dimethyl-3-[3-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]propan-1-amine

C24H25N5 — CID 45487458

IUPACN,N-dimethyl-3-[3-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]propan-1-amine
SMILESCN(C)CCCc1cccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)c1
InChIInChI=1S/C24H25N5/c1-29(2)14-6-8-18-7-5-9-20(15-18)23-16-19(11-13-26-23)21-17-27-28-24(21)22-10-3-4-12-25-22/h3-5,7,9-13,15-17H,6,8,14H2,1-2H3,(H,27,28)
InChIKeySWEOHBUPPVVRBO-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.69
Rot. Bonds7

About N,N-dimethyl-3-[3-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]propan-1-amine

N,N-dimethyl-3-[3-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]propan-1-amine (PubChem CID 45487458) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]propan-1-amine
PubChem CID45487458
Molecular FormulaC24H25N5
Molecular Weight383.50 g/mol
Exact Mass383.21
IUPAC NameN,N-dimethyl-3-[3-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]propan-1-amine
SMILESCN(C)CCCc1cccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)c1
InChIInChI=1S/C24H25N5/c1-29(2)14-6-8-18-7-5-9-20(15-18)23-16-19(11-13-26-23)21-17-27-28-24(21)22-10-3-4-12-25-22/h3-5,7,9-13,15-17H,6,8,14H2,1-2H3,(H,27,28)
InChIKeySWEOHBUPPVVRBO-UHFFFAOYSA-N
XLogP4.69
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[3-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]propan-1-amine (CID 45487458) is N,N-dimethyl-3-[3-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[3-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[3-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]propan-1-amine is CN(C)CCCc1cccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)c1.
What is the InChIKey of N,N-dimethyl-3-[3-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]propan-1-amine?
The InChIKey is SWEOHBUPPVVRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5/c1-29(2)14-6-8-18-7-5-9-20(15-18)23-16-19(11-13-26-23)21-17-27-28-24(21)22-10-3-4-12-25-22/h3-5,7,9-13,15-17H,6,8,14H2,1-2H3,(H,27,28).
What are the key properties of N,N-dimethyl-3-[3-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]propan-1-amine?
N,N-dimethyl-3-[3-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]propan-1-amine has a molecular weight of 383.50 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]propan-1-amine is sourced from PubChem (CID 45487458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).