5-(aminomethyl)-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-6-amine

C14H15N5O3 — CID 170875522

IUPAC5-(aminomethyl)-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-6-amine
SMILESCc1[nH]nc2c1C(c1cccc([N+](=O)[O-])c1)C(CN)=C(N)O2
InChIInChI=1S/C14H15N5O3/c1-7-11-12(8-3-2-4-9(5-8)19(20)21)10(6-15)13(16)22-14(11)18-17-7/h2-5,12H,6,15-16H2,1H3,(H,17,18)
InChIKeyOAVLPGDJSQKIHP-UHFFFAOYSA-N
MW301.31 g/mol
LogP1.28
Rot. Bonds3

About 5-(aminomethyl)-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-6-amine

5-(aminomethyl)-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-6-amine (PubChem CID 170875522) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is 5-(aminomethyl)-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-6-amine.

Molecular Properties

Compound Name5-(aminomethyl)-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-6-amine
PubChem CID170875522
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name5-(aminomethyl)-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-6-amine
SMILESCc1[nH]nc2c1C(c1cccc([N+](=O)[O-])c1)C(CN)=C(N)O2
InChIInChI=1S/C14H15N5O3/c1-7-11-12(8-3-2-4-9(5-8)19(20)21)10(6-15)13(16)22-14(11)18-17-7/h2-5,12H,6,15-16H2,1H3,(H,17,18)
InChIKeyOAVLPGDJSQKIHP-UHFFFAOYSA-N
XLogP1.28
TPSA133.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6,10-dimethyl-8-(3-nitrophenyl)-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
CID 137178190
(4S)-6-amino-3-tert-butyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 701585
(4R)-6-amino-4-(2-chloro-5-nitrophenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 683071
(4S)-6-amino-3-(4-ethoxyphenyl)-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1423873
(4S)-6-amino-4-[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 126141830
(4R)-4-(4-methoxyphenyl)-3-methyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine
CID 902403
6-amino-3-(4-ethoxy-3-methoxyphenyl)-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3845908
1-(6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-5-yl)ethanone
CID 171976478
(4S)-6-amino-4-(3-iodophenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1034721
6-amino-4-[3-[6-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]hexoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 139234738
(4S)-6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 677573
(4S)-6-amino-3-(3-nitrophenyl)-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1371381

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-6-amine?
The IUPAC name of 5-(aminomethyl)-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-6-amine (CID 170875522) is 5-(aminomethyl)-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-6-amine.
What is the SMILES notation for 5-(aminomethyl)-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-6-amine?
The canonical SMILES for 5-(aminomethyl)-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-6-amine is Cc1[nH]nc2c1C(c1cccc([N+](=O)[O-])c1)C(CN)=C(N)O2.
What is the InChIKey of 5-(aminomethyl)-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-6-amine?
The InChIKey is OAVLPGDJSQKIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c1-7-11-12(8-3-2-4-9(5-8)19(20)21)10(6-15)13(16)22-14(11)18-17-7/h2-5,12H,6,15-16H2,1H3,(H,17,18).
What are the key properties of 5-(aminomethyl)-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-6-amine?
5-(aminomethyl)-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-6-amine has a molecular weight of 301.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-6-amine is sourced from PubChem (CID 170875522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).