[5-[(1H-pyrazol-4-ylmethylamino)methyl]furan-2-yl]methanol

C10H13N3O2 — CID 64592763

IUPAC[5-[(1H-pyrazol-4-ylmethylamino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNCc2cn[nH]c2)o1
InChIInChI=1S/C10H13N3O2/c14-7-10-2-1-9(15-10)6-11-3-8-4-12-13-5-8/h1-2,4-5,11,14H,3,6-7H2,(H,12,13)
InChIKeyWPRWSKLBRDGVCS-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.78
Rot. Bonds5

About [5-[(1H-pyrazol-4-ylmethylamino)methyl]furan-2-yl]methanol

[5-[(1H-pyrazol-4-ylmethylamino)methyl]furan-2-yl]methanol (PubChem CID 64592763) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is [5-[(1H-pyrazol-4-ylmethylamino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(1H-pyrazol-4-ylmethylamino)methyl]furan-2-yl]methanol
PubChem CID64592763
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name[5-[(1H-pyrazol-4-ylmethylamino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNCc2cn[nH]c2)o1
InChIInChI=1S/C10H13N3O2/c14-7-10-2-1-9(15-10)6-11-3-8-4-12-13-5-8/h1-2,4-5,11,14H,3,6-7H2,(H,12,13)
InChIKeyWPRWSKLBRDGVCS-UHFFFAOYSA-N
XLogP0.78
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-nitrofuran-2-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 60999790
[5-[[(4-nitrophenyl)methylamino]methyl]furan-2-yl]methanol
CID 64592355
[5-[(1,2-oxazol-3-ylmethylamino)methyl]furan-2-yl]methanol
CID 79496028
N-(1H-pyrazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 54897039
N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
CID 70458454
N-(1H-pyrazol-4-ylmethyl)-1-(3,4,5-trifluorophenyl)methanamine
CID 63050204
1-(4-propan-2-yloxyphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 54897632
4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol
CID 106126527
2,2-difluoro-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 103514032
N-methyl-1-(1H-pyrazol-4-yl)methanamine
CID 22929644
[5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-yl]methanol
CID 78996710
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 54896960

Frequently Asked Questions

What is the IUPAC name of [5-[(1H-pyrazol-4-ylmethylamino)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(1H-pyrazol-4-ylmethylamino)methyl]furan-2-yl]methanol (CID 64592763) is [5-[(1H-pyrazol-4-ylmethylamino)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(1H-pyrazol-4-ylmethylamino)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(1H-pyrazol-4-ylmethylamino)methyl]furan-2-yl]methanol is OCc1ccc(CNCc2cn[nH]c2)o1.
What is the InChIKey of [5-[(1H-pyrazol-4-ylmethylamino)methyl]furan-2-yl]methanol?
The InChIKey is WPRWSKLBRDGVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-7-10-2-1-9(15-10)6-11-3-8-4-12-13-5-8/h1-2,4-5,11,14H,3,6-7H2,(H,12,13).
What are the key properties of [5-[(1H-pyrazol-4-ylmethylamino)methyl]furan-2-yl]methanol?
[5-[(1H-pyrazol-4-ylmethylamino)methyl]furan-2-yl]methanol has a molecular weight of 207.23 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1H-pyrazol-4-ylmethylamino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 64592763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).