4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide

C12H14N4O — CID 43663501

IUPAC4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
SMILESCc1[nH]ncc1CNc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H14N4O/c1-8-10(7-15-16-8)6-14-11-4-2-9(3-5-11)12(13)17/h2-5,7,14H,6H2,1H3,(H2,13,17)(H,15,16)
InChIKeyVPOBNPOSYQKVSG-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.43
Rot. Bonds4

About 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide

4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide (PubChem CID 43663501) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
PubChem CID43663501
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
SMILESCc1[nH]ncc1CNc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H14N4O/c1-8-10(7-15-16-8)6-14-11-4-2-9(3-5-11)12(13)17/h2-5,7,14H,6H2,1H3,(H2,13,17)(H,15,16)
InChIKeyVPOBNPOSYQKVSG-UHFFFAOYSA-N
XLogP1.43
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 43683696
4-chloro-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 43679573
tert-butyl N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]carbamate
CID 103818455
N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]cyclopropanecarboxamide
CID 43663626
[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 43745275
N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43663437
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-yloxyaniline
CID 43663707
4-(2-methoxyethoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43734233
2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
CID 43695305
4-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
CID 62747967
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzene-1,2-dicarbonitrile
CID 107788411
1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyridin-2-one
CID 60932541

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide?
The IUPAC name of 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide (CID 43663501) is 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide.
What is the SMILES notation for 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide?
The canonical SMILES for 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide is Cc1[nH]ncc1CNc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide?
The InChIKey is VPOBNPOSYQKVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-10(7-15-16-8)6-14-11-4-2-9(3-5-11)12(13)17/h2-5,7,14H,6H2,1H3,(H2,13,17)(H,15,16).
What are the key properties of 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide?
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide has a molecular weight of 230.27 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 43663501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).