4-amino-N,N-bis(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide

C14H14N4O3 — CID 63103060

IUPAC4-amino-N,N-bis(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C14H14N4O3/c15-12-7-16-17-13(12)14(19)18(8-10-3-1-5-20-10)9-11-4-2-6-21-11/h1-7H,8-9,15H2,(H,16,17)
InChIKeyZCDOKHRLNRODOR-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.02
Rot. Bonds5

About 4-amino-N,N-bis(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide

4-amino-N,N-bis(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 63103060) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-amino-N,N-bis(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N,N-bis(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID63103060
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name4-amino-N,N-bis(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C14H14N4O3/c15-12-7-16-17-13(12)14(19)18(8-10-3-1-5-20-10)9-11-4-2-6-21-11/h1-7H,8-9,15H2,(H,16,17)
InChIKeyZCDOKHRLNRODOR-UHFFFAOYSA-N
XLogP2.02
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide
CID 63101974
2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide
CID 106686174
3-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 64525222
4-amino-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 63107047
N-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54929638
N,N-bis(furan-2-ylmethyl)thiophene-2-carboxamide
CID 52548112
N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 54877126
4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide
CID 63104484
N-(furan-2-ylmethyl)-4-(methanesulfonamido)-1H-pyrazole-5-carboxamide
CID 69379558
5-amino-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 81311914
4-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 63102316
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide
CID 63101976

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-bis(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N,N-bis(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 63103060) is 4-amino-N,N-bis(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N,N-bis(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N,N-bis(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide is Nc1cn[nH]c1C(=O)N(Cc1ccco1)Cc1ccco1.
What is the InChIKey of 4-amino-N,N-bis(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ZCDOKHRLNRODOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c15-12-7-16-17-13(12)14(19)18(8-10-3-1-5-20-10)9-11-4-2-6-21-11/h1-7H,8-9,15H2,(H,16,17).
What are the key properties of 4-amino-N,N-bis(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
4-amino-N,N-bis(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-bis(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63103060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).