N-(1-propan-2-yltriazol-4-yl)-1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine

C19H25N7 — CID 31016919

IUPACN-(1-propan-2-yltriazol-4-yl)-1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine
SMILESCC(C)n1cc(NC2CCN(c3cccc(-c4ccn[nH]4)c3)CC2)nn1
InChIInChI=1S/C19H25N7/c1-14(2)26-13-19(23-24-26)21-16-7-10-25(11-8-16)17-5-3-4-15(12-17)18-6-9-20-22-18/h3-6,9,12-14,16,21H,7-8,10-11H2,1-2H3,(H,20,22)
InChIKeyIMIWOZQNLOEMEE-UHFFFAOYSA-N
MW351.46 g/mol
LogP3.33
Rot. Bonds5

About N-(1-propan-2-yltriazol-4-yl)-1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine

N-(1-propan-2-yltriazol-4-yl)-1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine (PubChem CID 31016919) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is N-(1-propan-2-yltriazol-4-yl)-1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(1-propan-2-yltriazol-4-yl)-1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine
PubChem CID31016919
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC NameN-(1-propan-2-yltriazol-4-yl)-1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine
SMILESCC(C)n1cc(NC2CCN(c3cccc(-c4ccn[nH]4)c3)CC2)nn1
InChIInChI=1S/C19H25N7/c1-14(2)26-13-19(23-24-26)21-16-7-10-25(11-8-16)17-5-3-4-15(12-17)18-6-9-20-22-18/h3-6,9,12-14,16,21H,7-8,10-11H2,1-2H3,(H,20,22)
InChIKeyIMIWOZQNLOEMEE-UHFFFAOYSA-N
XLogP3.33
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-yltriazol-4-yl)-1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine?
The IUPAC name of N-(1-propan-2-yltriazol-4-yl)-1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine (CID 31016919) is N-(1-propan-2-yltriazol-4-yl)-1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-(1-propan-2-yltriazol-4-yl)-1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine?
The canonical SMILES for N-(1-propan-2-yltriazol-4-yl)-1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine is CC(C)n1cc(NC2CCN(c3cccc(-c4ccn[nH]4)c3)CC2)nn1.
What is the InChIKey of N-(1-propan-2-yltriazol-4-yl)-1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine?
The InChIKey is IMIWOZQNLOEMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7/c1-14(2)26-13-19(23-24-26)21-16-7-10-25(11-8-16)17-5-3-4-15(12-17)18-6-9-20-22-18/h3-6,9,12-14,16,21H,7-8,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-(1-propan-2-yltriazol-4-yl)-1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine?
N-(1-propan-2-yltriazol-4-yl)-1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine has a molecular weight of 351.46 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-yltriazol-4-yl)-1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 31016919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).