N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride

C13H19ClN4O2 — CID 119434158

IUPACN-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1cc(-c2ccc(C)o2)[nH]n1.Cl
InChIInChI=1S/C13H18N4O2.ClH/c1-9-4-5-12(19-9)10-8-11(17-16-10)13(18)15-7-3-6-14-2;/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,18)(H,16,17);1H
InChIKeySXKYZQMTWPOJIR-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.74
Rot. Bonds6

About N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride

N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 119434158) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID119434158
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC NameN-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1cc(-c2ccc(C)o2)[nH]n1.Cl
InChIInChI=1S/C13H18N4O2.ClH/c1-9-4-5-12(19-9)10-8-11(17-16-10)13(18)15-7-3-6-14-2;/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,18)(H,16,17);1H
InChIKeySXKYZQMTWPOJIR-UHFFFAOYSA-N
XLogP1.74
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119385488
5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 112829139
N-(cyclopropylmethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 166187750
5-(5-methylfuran-2-yl)-N-(2-propylsulfanylethyl)-1H-pyrazole-3-carboxamide
CID 70788324
5-(5-methylfuran-2-yl)-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-3-carboxamide
CID 112828757
5-(5-methylfuran-2-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 70715052
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70715083
N-[(5-bromothiophen-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829365
N-[(2R)-2-(ethylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 120652895
5-(5-methylfuran-2-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 118780006
N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119434137
N-[2-(3-fluorophenoxy)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829300

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride (CID 119434158) is N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride is CNCCCNC(=O)c1cc(-c2ccc(C)o2)[nH]n1.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is SXKYZQMTWPOJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2.ClH/c1-9-4-5-12(19-9)10-8-11(17-16-10)13(18)15-7-3-6-14-2;/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,18)(H,16,17);1H.
What are the key properties of N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride?
N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119434158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).