N-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-amine

C17H19N5O — CID 141430349

IUPACN-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-amine
SMILESCc1ccc(Nc2cc([C@@H]3CCCO3)[nH]n2)cc1-n1ccnc1
InChIInChI=1S/C17H19N5O/c1-12-4-5-13(9-15(12)22-7-6-18-11-22)19-17-10-14(20-21-17)16-3-2-8-23-16/h4-7,9-11,16H,2-3,8H2,1H3,(H2,19,20,21)/t16-/m0/s1
InChIKeyHDDZPHREOPCQMI-INIZCTEOSA-N
MW309.37 g/mol
LogP3.50
Rot. Bonds4

About N-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-amine

N-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-amine (PubChem CID 141430349) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-amine
PubChem CID141430349
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-amine
SMILESCc1ccc(Nc2cc([C@@H]3CCCO3)[nH]n2)cc1-n1ccnc1
InChIInChI=1S/C17H19N5O/c1-12-4-5-13(9-15(12)22-7-6-18-11-22)19-17-10-14(20-21-17)16-3-2-8-23-16/h4-7,9-11,16H,2-3,8H2,1H3,(H2,19,20,21)/t16-/m0/s1
InChIKeyHDDZPHREOPCQMI-INIZCTEOSA-N
XLogP3.50
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-amine?
The IUPAC name of N-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-amine (CID 141430349) is N-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for N-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-amine?
The canonical SMILES for N-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-amine is Cc1ccc(Nc2cc([C@@H]3CCCO3)[nH]n2)cc1-n1ccnc1.
What is the InChIKey of N-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-amine?
The InChIKey is HDDZPHREOPCQMI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12-4-5-13(9-15(12)22-7-6-18-11-22)19-17-10-14(20-21-17)16-3-2-8-23-16/h4-7,9-11,16H,2-3,8H2,1H3,(H2,19,20,21)/t16-/m0/s1.
What are the key properties of N-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-amine?
N-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-amine has a molecular weight of 309.37 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 141430349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).