(5-methyl-1-propylpyrazol-4-yl)-[4-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone

C19H30N6O — CID 46990381

IUPAC(5-methyl-1-propylpyrazol-4-yl)-[4-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCCCc1cn(CC2CCN(C(=O)c3cnn(CCC)c3C)CC2)nn1
InChIInChI=1S/C19H30N6O/c1-4-6-17-14-24(22-21-17)13-16-7-10-23(11-8-16)19(26)18-12-20-25(9-5-2)15(18)3/h12,14,16H,4-11,13H2,1-3H3
InChIKeyBBHTWWVWRBDPKE-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.70
Rot. Bonds7

About (5-methyl-1-propylpyrazol-4-yl)-[4-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone

(5-methyl-1-propylpyrazol-4-yl)-[4-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 46990381) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is (5-methyl-1-propylpyrazol-4-yl)-[4-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1-propylpyrazol-4-yl)-[4-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID46990381
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name(5-methyl-1-propylpyrazol-4-yl)-[4-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCCCc1cn(CC2CCN(C(=O)c3cnn(CCC)c3C)CC2)nn1
InChIInChI=1S/C19H30N6O/c1-4-6-17-14-24(22-21-17)13-16-7-10-23(11-8-16)19(26)18-12-20-25(9-5-2)15(18)3/h12,14,16H,4-11,13H2,1-3H3
InChIKeyBBHTWWVWRBDPKE-UHFFFAOYSA-N
XLogP2.70
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-propylpyrazol-4-yl)-[4-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1-propylpyrazol-4-yl)-[4-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone (CID 46990381) is (5-methyl-1-propylpyrazol-4-yl)-[4-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1-propylpyrazol-4-yl)-[4-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1-propylpyrazol-4-yl)-[4-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone is CCCc1cn(CC2CCN(C(=O)c3cnn(CCC)c3C)CC2)nn1.
What is the InChIKey of (5-methyl-1-propylpyrazol-4-yl)-[4-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is BBHTWWVWRBDPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-4-6-17-14-24(22-21-17)13-16-7-10-23(11-8-16)19(26)18-12-20-25(9-5-2)15(18)3/h12,14,16H,4-11,13H2,1-3H3.
What are the key properties of (5-methyl-1-propylpyrazol-4-yl)-[4-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone?
(5-methyl-1-propylpyrazol-4-yl)-[4-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 358.49 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-propylpyrazol-4-yl)-[4-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 46990381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).