[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone

C14H19N7O — CID 74238123

IUPAC[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCN(Cc2cc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C14H19N7O/c22-14(13-15-9-16-19-13)21-5-3-20(4-6-21)8-11-7-12(18-17-11)10-1-2-10/h7,9-10H,1-6,8H2,(H,17,18)(H,15,16,19)
InChIKeyFKMHHVXQPUUNIW-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.36
Rot. Bonds4

About [4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone

[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 74238123) has the molecular formula C14H19N7O and a molecular weight of 301.35 g/mol. Its IUPAC name is [4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID74238123
Molecular FormulaC14H19N7O
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCN(Cc2cc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C14H19N7O/c22-14(13-15-9-16-19-13)21-5-3-20(4-6-21)8-11-7-12(18-17-11)10-1-2-10/h7,9-10H,1-6,8H2,(H,17,18)(H,15,16,19)
InChIKeyFKMHHVXQPUUNIW-UHFFFAOYSA-N
XLogP0.36
TPSA93.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of [4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone (CID 74238123) is [4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for [4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for [4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone is O=C(c1ncn[nH]1)N1CCN(Cc2cc(C3CC3)n[nH]2)CC1.
What is the InChIKey of [4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is FKMHHVXQPUUNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O/c22-14(13-15-9-16-19-13)21-5-3-20(4-6-21)8-11-7-12(18-17-11)10-1-2-10/h7,9-10H,1-6,8H2,(H,17,18)(H,15,16,19).
What are the key properties of [4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
[4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 301.35 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 74238123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).