N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine

C14H22FN5 — CID 122169227

IUPACN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
SMILESCCn1ncc(CNc2cn(CC(C)C)nc2C)c1F
InChIInChI=1S/C14H22FN5/c1-5-20-14(15)12(7-17-20)6-16-13-9-19(8-10(2)3)18-11(13)4/h7,9-10,16H,5-6,8H2,1-4H3
InChIKeyHAUBPWNQNVMKTO-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.82
Rot. Bonds6

About N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine

N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine (PubChem CID 122169227) has the molecular formula C14H22FN5 and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
PubChem CID122169227
Molecular FormulaC14H22FN5
Molecular Weight279.36 g/mol
Exact Mass279.19
IUPAC NameN-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
SMILESCCn1ncc(CNc2cn(CC(C)C)nc2C)c1F
InChIInChI=1S/C14H22FN5/c1-5-20-14(15)12(7-17-20)6-16-13-9-19(8-10(2)3)18-11(13)4/h7,9-10,16H,5-6,8H2,1-4H3
InChIKeyHAUBPWNQNVMKTO-UHFFFAOYSA-N
XLogP2.82
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine?
The IUPAC name of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine (CID 122169227) is N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine.
What is the SMILES notation for N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine?
The canonical SMILES for N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine is CCn1ncc(CNc2cn(CC(C)C)nc2C)c1F.
What is the InChIKey of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine?
The InChIKey is HAUBPWNQNVMKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN5/c1-5-20-14(15)12(7-17-20)6-16-13-9-19(8-10(2)3)18-11(13)4/h7,9-10,16H,5-6,8H2,1-4H3.
What are the key properties of N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine?
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine has a molecular weight of 279.36 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine is sourced from PubChem (CID 122169227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).