N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide

C19H22N6O — CID 24819341

IUPACN-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2ccn[nH]2)CC1)c1ccccc1
InChIInChI=1S/C19H22N6O/c26-19(15-4-2-1-3-5-15)22-18-7-11-21-25(18)17-8-12-24(13-9-17)14-16-6-10-20-23-16/h1-7,10-11,17H,8-9,12-14H2,(H,20,23)(H,22,26)
InChIKeyBZLNHBBJKSVYES-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.70
Rot. Bonds5

About N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide

N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24819341) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24819341
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2ccn[nH]2)CC1)c1ccccc1
InChIInChI=1S/C19H22N6O/c26-19(15-4-2-1-3-5-15)22-18-7-11-21-25(18)17-8-12-24(13-9-17)14-16-6-10-20-23-16/h1-7,10-11,17H,8-9,12-14H2,(H,20,23)(H,22,26)
InChIKeyBZLNHBBJKSVYES-UHFFFAOYSA-N
XLogP2.70
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24819341) is N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide is O=C(Nc1ccnn1C1CCN(Cc2ccn[nH]2)CC1)c1ccccc1.
What is the InChIKey of N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is BZLNHBBJKSVYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c26-19(15-4-2-1-3-5-15)22-18-7-11-21-25(18)17-8-12-24(13-9-17)14-16-6-10-20-23-16/h1-7,10-11,17H,8-9,12-14H2,(H,20,23)(H,22,26).
What are the key properties of N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 350.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24819341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).