N-[3-(aminomethyl)pentan-3-yl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

C15H22N4O2 — CID 119572000

IUPACN-[3-(aminomethyl)pentan-3-yl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1cc(-c2ccc(C)o2)[nH]n1
InChIInChI=1S/C15H22N4O2/c1-4-15(5-2,9-16)17-14(20)12-8-11(18-19-12)13-7-6-10(3)21-13/h6-8H,4-5,9,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyQJLUKTUWTWLYAM-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.23
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

N-[3-(aminomethyl)pentan-3-yl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 119572000) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID119572000
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1cc(-c2ccc(C)o2)[nH]n1
InChIInChI=1S/C15H22N4O2/c1-4-15(5-2,9-16)17-14(20)12-8-11(18-19-12)13-7-6-10(3)21-13/h6-8H,4-5,9,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyQJLUKTUWTWLYAM-UHFFFAOYSA-N
XLogP2.23
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (CID 119572000) is N-[3-(aminomethyl)pentan-3-yl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is CCC(CC)(CN)NC(=O)c1cc(-c2ccc(C)o2)[nH]n1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is QJLUKTUWTWLYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-4-15(5-2,9-16)17-14(20)12-8-11(18-19-12)13-7-6-10(3)21-13/h6-8H,4-5,9,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
N-[3-(aminomethyl)pentan-3-yl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 119572000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).