N'-[4-(3-aminopropyl)-3-methyl-1-phenylpyrazol-5-yl]-N,N-dimethylmethanimidamide

C16H23N5 — CID 170878384

IUPACN'-[4-(3-aminopropyl)-3-methyl-1-phenylpyrazol-5-yl]-N,N-dimethylmethanimidamide
SMILESCc1nn(-c2ccccc2)c(/N=C/N(C)C)c1CCCN
InChIInChI=1S/C16H23N5/c1-13-15(10-7-11-17)16(18-12-20(2)3)21(19-13)14-8-5-4-6-9-14/h4-6,8-9,12H,7,10-11,17H2,1-3H3/b18-12+
InChIKeyYFEZJXWIMAERIO-LDADJPATSA-N
MW285.40 g/mol
LogP2.29
Rot. Bonds6

About N'-[4-(3-aminopropyl)-3-methyl-1-phenylpyrazol-5-yl]-N,N-dimethylmethanimidamide

N'-[4-(3-aminopropyl)-3-methyl-1-phenylpyrazol-5-yl]-N,N-dimethylmethanimidamide (PubChem CID 170878384) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is N'-[4-(3-aminopropyl)-3-methyl-1-phenylpyrazol-5-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(3-aminopropyl)-3-methyl-1-phenylpyrazol-5-yl]-N,N-dimethylmethanimidamide
PubChem CID170878384
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC NameN'-[4-(3-aminopropyl)-3-methyl-1-phenylpyrazol-5-yl]-N,N-dimethylmethanimidamide
SMILESCc1nn(-c2ccccc2)c(/N=C/N(C)C)c1CCCN
InChIInChI=1S/C16H23N5/c1-13-15(10-7-11-17)16(18-12-20(2)3)21(19-13)14-8-5-4-6-9-14/h4-6,8-9,12H,7,10-11,17H2,1-3H3/b18-12+
InChIKeyYFEZJXWIMAERIO-LDADJPATSA-N
XLogP2.29
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine
CID 79220501
bis(diethylamino)-[5-(dimethylaminomethylideneamino)-3-methyl-1-phenylpyrazol-4-yl]-methylphosphanium
CID 23876183
2-(3-methyl-5-methylsulfanyl-1-phenylpyrazol-4-yl)ethanamine
CID 63818020
4-(2-aminoethyl)-N-ethyl-3-methyl-1-phenyl-N-propylpyrazol-5-amine
CID 63783051
4-(aminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine
CID 43122262
3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 82471672
4-(2-aminoethyl)-N-(2-methoxyethyl)-N,3-dimethyl-1-phenylpyrazol-5-amine
CID 63785720
3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol
CID 170887531
2-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)ethanamine
CID 20983039
2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethanamine
CID 20983040
3-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 79224848
ethyl N-(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methanimidate
CID 85450951

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3-aminopropyl)-3-methyl-1-phenylpyrazol-5-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-(3-aminopropyl)-3-methyl-1-phenylpyrazol-5-yl]-N,N-dimethylmethanimidamide (CID 170878384) is N'-[4-(3-aminopropyl)-3-methyl-1-phenylpyrazol-5-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4-(3-aminopropyl)-3-methyl-1-phenylpyrazol-5-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-(3-aminopropyl)-3-methyl-1-phenylpyrazol-5-yl]-N,N-dimethylmethanimidamide is Cc1nn(-c2ccccc2)c(/N=C/N(C)C)c1CCCN.
What is the InChIKey of N'-[4-(3-aminopropyl)-3-methyl-1-phenylpyrazol-5-yl]-N,N-dimethylmethanimidamide?
The InChIKey is YFEZJXWIMAERIO-LDADJPATSA-N. The full InChI is InChI=1S/C16H23N5/c1-13-15(10-7-11-17)16(18-12-20(2)3)21(19-13)14-8-5-4-6-9-14/h4-6,8-9,12H,7,10-11,17H2,1-3H3/b18-12+.
What are the key properties of N'-[4-(3-aminopropyl)-3-methyl-1-phenylpyrazol-5-yl]-N,N-dimethylmethanimidamide?
N'-[4-(3-aminopropyl)-3-methyl-1-phenylpyrazol-5-yl]-N,N-dimethylmethanimidamide has a molecular weight of 285.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-aminopropyl)-3-methyl-1-phenylpyrazol-5-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 170878384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).