N-ethyl-1,3-dimethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine

C17H26N4 — CID 43281054

IUPACN-ethyl-1,3-dimethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
SMILESCCN(c1ccccc1)c1c(CNC(C)C)c(C)nn1C
InChIInChI=1S/C17H26N4/c1-6-21(15-10-8-7-9-11-15)17-16(12-18-13(2)3)14(4)19-20(17)5/h7-11,13,18H,6,12H2,1-5H3
InChIKeyROGPNAFVTYKFNF-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.38
Rot. Bonds6

About N-ethyl-1,3-dimethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine

N-ethyl-1,3-dimethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine (PubChem CID 43281054) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-ethyl-1,3-dimethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine.

Molecular Properties

Compound NameN-ethyl-1,3-dimethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
PubChem CID43281054
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-ethyl-1,3-dimethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
SMILESCCN(c1ccccc1)c1c(CNC(C)C)c(C)nn1C
InChIInChI=1S/C17H26N4/c1-6-21(15-10-8-7-9-11-15)17-16(12-18-13(2)3)14(4)19-20(17)5/h7-11,13,18H,6,12H2,1-5H3
InChIKeyROGPNAFVTYKFNF-UHFFFAOYSA-N
XLogP3.38
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,3-dimethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine?
The IUPAC name of N-ethyl-1,3-dimethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine (CID 43281054) is N-ethyl-1,3-dimethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine.
What is the SMILES notation for N-ethyl-1,3-dimethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine?
The canonical SMILES for N-ethyl-1,3-dimethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine is CCN(c1ccccc1)c1c(CNC(C)C)c(C)nn1C.
What is the InChIKey of N-ethyl-1,3-dimethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine?
The InChIKey is ROGPNAFVTYKFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-6-21(15-10-8-7-9-11-15)17-16(12-18-13(2)3)14(4)19-20(17)5/h7-11,13,18H,6,12H2,1-5H3.
What are the key properties of N-ethyl-1,3-dimethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine?
N-ethyl-1,3-dimethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine has a molecular weight of 286.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,3-dimethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine is sourced from PubChem (CID 43281054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).