N-methyl-N-[(1-phenylpyrazol-4-yl)methylideneamino]methanamine

C12H14N4 — CID 4068272

IUPACN-methyl-N-[(1-phenylpyrazol-4-yl)methylideneamino]methanamine
SMILESCN(C)N=Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H14N4/c1-15(2)13-8-11-9-14-16(10-11)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyRHSHGNJLJUACQP-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.77
Rot. Bonds3

About N-methyl-N-[(1-phenylpyrazol-4-yl)methylideneamino]methanamine

N-methyl-N-[(1-phenylpyrazol-4-yl)methylideneamino]methanamine (PubChem CID 4068272) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is N-methyl-N-[(1-phenylpyrazol-4-yl)methylideneamino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(1-phenylpyrazol-4-yl)methylideneamino]methanamine
PubChem CID4068272
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC NameN-methyl-N-[(1-phenylpyrazol-4-yl)methylideneamino]methanamine
SMILESCN(C)N=Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H14N4/c1-15(2)13-8-11-9-14-16(10-11)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyRHSHGNJLJUACQP-UHFFFAOYSA-N
XLogP1.77
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methyl-N-[(1-phenylpyrazol-4-yl)methylideneamino]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol
CID 22631090
4-[4-(methyliminomethyl)pyrazol-1-yl]phenol
CID 123917527
3-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]butanamide
CID 8981777
4-(3-chloroprop-1-enyl)-1-phenylpyrazole
CID 79335752
N-[(1-phenylpyrazol-4-yl)methylideneamino]octanamide
CID 5101111
4-ethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 8980773
(Z)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 170877893
3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 169482421
1-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]indole-3-carboxamide
CID 8984307
1-(2-methoxyethyl)-3-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thiourea
CID 8978981
(E)-N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 109388413
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-phenylpyrazol-4-yl)methylideneamino]methanamine?
The IUPAC name of N-methyl-N-[(1-phenylpyrazol-4-yl)methylideneamino]methanamine (CID 4068272) is N-methyl-N-[(1-phenylpyrazol-4-yl)methylideneamino]methanamine.
What is the SMILES notation for N-methyl-N-[(1-phenylpyrazol-4-yl)methylideneamino]methanamine?
The canonical SMILES for N-methyl-N-[(1-phenylpyrazol-4-yl)methylideneamino]methanamine is CN(C)N=Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-methyl-N-[(1-phenylpyrazol-4-yl)methylideneamino]methanamine?
The InChIKey is RHSHGNJLJUACQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-15(2)13-8-11-9-14-16(10-11)12-6-4-3-5-7-12/h3-10H,1-2H3.
What are the key properties of N-methyl-N-[(1-phenylpyrazol-4-yl)methylideneamino]methanamine?
N-methyl-N-[(1-phenylpyrazol-4-yl)methylideneamino]methanamine has a molecular weight of 214.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-phenylpyrazol-4-yl)methylideneamino]methanamine is sourced from PubChem (CID 4068272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).