5-[(cyclopentylamino)methyl]-1H-pyrazol-4-amine

C9H16N4 — CID 117217711

IUPAC5-[(cyclopentylamino)methyl]-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1CNC1CCCC1
InChIInChI=1S/C9H16N4/c10-8-5-12-13-9(8)6-11-7-3-1-2-4-7/h5,7,11H,1-4,6,10H2,(H,12,13)
InChIKeyHIDLBLUGLKXQOI-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.02
Rot. Bonds3

About 5-[(cyclopentylamino)methyl]-1H-pyrazol-4-amine

5-[(cyclopentylamino)methyl]-1H-pyrazol-4-amine (PubChem CID 117217711) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-[(cyclopentylamino)methyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-[(cyclopentylamino)methyl]-1H-pyrazol-4-amine
PubChem CID117217711
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name5-[(cyclopentylamino)methyl]-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1CNC1CCCC1
InChIInChI=1S/C9H16N4/c10-8-5-12-13-9(8)6-11-7-3-1-2-4-7/h5,7,11H,1-4,6,10H2,(H,12,13)
InChIKeyHIDLBLUGLKXQOI-UHFFFAOYSA-N
XLogP1.02
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopentylamino)methyl]-1H-pyrazol-4-amine?
The IUPAC name of 5-[(cyclopentylamino)methyl]-1H-pyrazol-4-amine (CID 117217711) is 5-[(cyclopentylamino)methyl]-1H-pyrazol-4-amine.
What is the SMILES notation for 5-[(cyclopentylamino)methyl]-1H-pyrazol-4-amine?
The canonical SMILES for 5-[(cyclopentylamino)methyl]-1H-pyrazol-4-amine is Nc1cn[nH]c1CNC1CCCC1.
What is the InChIKey of 5-[(cyclopentylamino)methyl]-1H-pyrazol-4-amine?
The InChIKey is HIDLBLUGLKXQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c10-8-5-12-13-9(8)6-11-7-3-1-2-4-7/h5,7,11H,1-4,6,10H2,(H,12,13).
What are the key properties of 5-[(cyclopentylamino)methyl]-1H-pyrazol-4-amine?
5-[(cyclopentylamino)methyl]-1H-pyrazol-4-amine has a molecular weight of 180.25 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopentylamino)methyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 117217711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).