5-amino-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]pyrazole-4-carbonitrile

C14H15N5O2 — CID 167746034

IUPAC5-amino-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C(=O)c2ccc(CN3CCCC3)o2)c1N
InChIInChI=1S/C14H15N5O2/c15-7-10-8-17-19(13(10)16)14(20)12-4-3-11(21-12)9-18-5-1-2-6-18/h3-4,8H,1-2,5-6,9,16H2
InChIKeyVZVJKHHWUABDRM-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.21
Rot. Bonds3

About 5-amino-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]pyrazole-4-carbonitrile

5-amino-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]pyrazole-4-carbonitrile (PubChem CID 167746034) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 5-amino-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]pyrazole-4-carbonitrile
PubChem CID167746034
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name5-amino-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C(=O)c2ccc(CN3CCCC3)o2)c1N
InChIInChI=1S/C14H15N5O2/c15-7-10-8-17-19(13(10)16)14(20)12-4-3-11(21-12)9-18-5-1-2-6-18/h3-4,8H,1-2,5-6,9,16H2
InChIKeyVZVJKHHWUABDRM-UHFFFAOYSA-N
XLogP1.21
TPSA101.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]pyrazole-4-carbonitrile (CID 167746034) is 5-amino-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]pyrazole-4-carbonitrile is N#Cc1cnn(C(=O)c2ccc(CN3CCCC3)o2)c1N.
What is the InChIKey of 5-amino-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]pyrazole-4-carbonitrile?
The InChIKey is VZVJKHHWUABDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c15-7-10-8-17-19(13(10)16)14(20)12-4-3-11(21-12)9-18-5-1-2-6-18/h3-4,8H,1-2,5-6,9,16H2.
What are the key properties of 5-amino-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]pyrazole-4-carbonitrile?
5-amino-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]pyrazole-4-carbonitrile has a molecular weight of 285.31 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 167746034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).