N-chloro-5-pentyl-1H-pyrazol-4-amine

C8H14ClN3 — CID 88845700

IUPACN-chloro-5-pentyl-1H-pyrazol-4-amine
SMILESCCCCCc1[nH]ncc1NCl
InChIInChI=1S/C8H14ClN3/c1-2-3-4-5-7-8(11-9)6-10-12-7/h6,11H,2-5H2,1H3,(H,10,12)
InChIKeyIFLVLAKESUNZTP-UHFFFAOYSA-N
MW187.67 g/mol
LogP2.71
Rot. Bonds5

About N-chloro-5-pentyl-1H-pyrazol-4-amine

N-chloro-5-pentyl-1H-pyrazol-4-amine (PubChem CID 88845700) has the molecular formula C8H14ClN3 and a molecular weight of 187.67 g/mol. Its IUPAC name is N-chloro-5-pentyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-chloro-5-pentyl-1H-pyrazol-4-amine
PubChem CID88845700
Molecular FormulaC8H14ClN3
Molecular Weight187.67 g/mol
Exact Mass187.09
IUPAC NameN-chloro-5-pentyl-1H-pyrazol-4-amine
SMILESCCCCCc1[nH]ncc1NCl
InChIInChI=1S/C8H14ClN3/c1-2-3-4-5-7-8(11-9)6-10-12-7/h6,11H,2-5H2,1H3,(H,10,12)
InChIKeyIFLVLAKESUNZTP-UHFFFAOYSA-N
XLogP2.71
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5-dipentyl-1H-pyrazole
CID 66669086
5-dodecyl-4-methyl-1H-pyrazole
CID 173176780
4,5-dihexyl-1H-pyrazole;hydrobromide
CID 174859356
5-butyl-4-ethyl-1H-pyrazole
CID 147341447
4-pentyl-5-prop-2-enyl-1H-pyrazole
CID 174864439
N-(4-butylphenyl)-5-ethyl-1H-pyrazol-4-amine
CID 153390054
5-chloro-4-(4-pentylanilino)-1H-pyridazin-6-one
CID 8850852
4-methyl-6-pentyl-1H-pyrazolo[3,4-d]pyrimidine
CID 69096109
4,5-dipentyl-1H-pyridazin-6-one
CID 174602267
2-[(3,4-dimethoxyphenyl)methyl]-4-[(5-pentyl-1H-pyrazol-4-yl)amino]benzenesulfonamide
CID 175217579
5-pentyl-1H-pyrazole
CID 13433979
4-chloro-5-ethyl-1H-pyrazole;ethane
CID 176927046

Frequently Asked Questions

What is the IUPAC name of N-chloro-5-pentyl-1H-pyrazol-4-amine?
The IUPAC name of N-chloro-5-pentyl-1H-pyrazol-4-amine (CID 88845700) is N-chloro-5-pentyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-chloro-5-pentyl-1H-pyrazol-4-amine?
The canonical SMILES for N-chloro-5-pentyl-1H-pyrazol-4-amine is CCCCCc1[nH]ncc1NCl.
What is the InChIKey of N-chloro-5-pentyl-1H-pyrazol-4-amine?
The InChIKey is IFLVLAKESUNZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3/c1-2-3-4-5-7-8(11-9)6-10-12-7/h6,11H,2-5H2,1H3,(H,10,12).
What are the key properties of N-chloro-5-pentyl-1H-pyrazol-4-amine?
N-chloro-5-pentyl-1H-pyrazol-4-amine has a molecular weight of 187.67 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-5-pentyl-1H-pyrazol-4-amine is sourced from PubChem (CID 88845700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).