N-[1-[4-[[4-(dimethylamino)phenyl]methylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine

C19H22N6 — CID 155010064

IUPACN-[1-[4-[[4-(dimethylamino)phenyl]methylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine
SMILESC=C(Nc1cccnc1)c1[nH]ncc1NCc1ccc(N(C)C)cc1
InChIInChI=1S/C19H22N6/c1-14(23-16-5-4-10-20-12-16)19-18(13-22-24-19)21-11-15-6-8-17(9-7-15)25(2)3/h4-10,12-13,21,23H,1,11H2,2-3H3,(H,22,24)
InChIKeyOOCWLHGPUJXRPO-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.57
Rot. Bonds7

About N-[1-[4-[[4-(dimethylamino)phenyl]methylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine

N-[1-[4-[[4-(dimethylamino)phenyl]methylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine (PubChem CID 155010064) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is N-[1-[4-[[4-(dimethylamino)phenyl]methylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-[4-[[4-(dimethylamino)phenyl]methylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine
PubChem CID155010064
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC NameN-[1-[4-[[4-(dimethylamino)phenyl]methylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine
SMILESC=C(Nc1cccnc1)c1[nH]ncc1NCc1ccc(N(C)C)cc1
InChIInChI=1S/C19H22N6/c1-14(23-16-5-4-10-20-12-16)19-18(13-22-24-19)21-11-15-6-8-17(9-7-15)25(2)3/h4-10,12-13,21,23H,1,11H2,2-3H3,(H,22,24)
InChIKeyOOCWLHGPUJXRPO-UHFFFAOYSA-N
XLogP3.57
TPSA68.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]pyridin-3-amine
CID 14720329
N-benzylpyridin-3-amine;dihydrochloride
CID 71432393
N-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide
CID 27888266
1-N-[[4-(dimethylamino)phenyl]methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82538778
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43663437
1-(dimethylamino)-3-pyridin-3-ylurea
CID 123360253
1-prop-2-ynyl-3-pyridin-3-ylthiourea
CID 130744162
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
3-[4-(dimethylamino)anilino]-N-(pyridin-3-ylmethyl)propanamide
CID 109023573
1,1-diethyl-3-pyridin-3-ylthiourea
CID 60640914
1-N-(isoquinolin-6-ylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 107037855

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[[4-(dimethylamino)phenyl]methylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine?
The IUPAC name of N-[1-[4-[[4-(dimethylamino)phenyl]methylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine (CID 155010064) is N-[1-[4-[[4-(dimethylamino)phenyl]methylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine.
What is the SMILES notation for N-[1-[4-[[4-(dimethylamino)phenyl]methylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine?
The canonical SMILES for N-[1-[4-[[4-(dimethylamino)phenyl]methylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine is C=C(Nc1cccnc1)c1[nH]ncc1NCc1ccc(N(C)C)cc1.
What is the InChIKey of N-[1-[4-[[4-(dimethylamino)phenyl]methylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine?
The InChIKey is OOCWLHGPUJXRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-14(23-16-5-4-10-20-12-16)19-18(13-22-24-19)21-11-15-6-8-17(9-7-15)25(2)3/h4-10,12-13,21,23H,1,11H2,2-3H3,(H,22,24).
What are the key properties of N-[1-[4-[[4-(dimethylamino)phenyl]methylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine?
N-[1-[4-[[4-(dimethylamino)phenyl]methylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine has a molecular weight of 334.43 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[[4-(dimethylamino)phenyl]methylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine is sourced from PubChem (CID 155010064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).