N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide

C19H21N5O2 — CID 91768715

IUPACN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide
SMILESCn1cc(C(NC(=O)c2ccc(-c3ccn[nH]3)cc2)C2CC(O)C2)cn1
InChIInChI=1S/C19H21N5O2/c1-24-11-15(10-21-24)18(14-8-16(25)9-14)22-19(26)13-4-2-12(3-5-13)17-6-7-20-23-17/h2-7,10-11,14,16,18,25H,8-9H2,1H3,(H,20,23)(H,22,26)
InChIKeyWORSYJDLHBJGTO-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.05
Rot. Bonds5

About N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide

N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide (PubChem CID 91768715) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide
PubChem CID91768715
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide
SMILESCn1cc(C(NC(=O)c2ccc(-c3ccn[nH]3)cc2)C2CC(O)C2)cn1
InChIInChI=1S/C19H21N5O2/c1-24-11-15(10-21-24)18(14-8-16(25)9-14)22-19(26)13-4-2-12(3-5-13)17-6-7-20-23-17/h2-7,10-11,14,16,18,25H,8-9H2,1H3,(H,20,23)(H,22,26)
InChIKeyWORSYJDLHBJGTO-UHFFFAOYSA-N
XLogP2.05
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(5-methylfuran-2-yl)benzamide
CID 91793399
3-chloro-4-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91795698
5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 91790041
3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 91775812
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 91772963
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 91776644
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide
CID 91766582
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 91760718
4-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 91788133
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 91761841
5-fluoro-2-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91772771
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 91791981

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide (CID 91768715) is N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide is Cn1cc(C(NC(=O)c2ccc(-c3ccn[nH]3)cc2)C2CC(O)C2)cn1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide?
The InChIKey is WORSYJDLHBJGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-24-11-15(10-21-24)18(14-8-16(25)9-14)22-19(26)13-4-2-12(3-5-13)17-6-7-20-23-17/h2-7,10-11,14,16,18,25H,8-9H2,1H3,(H,20,23)(H,22,26).
What are the key properties of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide?
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 91768715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).