[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine

C15H28ClN5 — CID 105241224

IUPAC[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
SMILESCCC(C)(C(NN)c1c(Cl)cnn1C(C)C)N1CCCC1
InChIInChI=1S/C15H28ClN5/c1-5-15(4,20-8-6-7-9-20)14(19-17)13-12(16)10-18-21(13)11(2)3/h10-11,14,19H,5-9,17H2,1-4H3
InChIKeyJVPATUDGGQHCBO-UHFFFAOYSA-N
MW313.88 g/mol
LogP2.89
Rot. Bonds6

About [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine

[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine (PubChem CID 105241224) has the molecular formula C15H28ClN5 and a molecular weight of 313.88 g/mol. Its IUPAC name is [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
PubChem CID105241224
Molecular FormulaC15H28ClN5
Molecular Weight313.88 g/mol
Exact Mass313.20
IUPAC Name[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
SMILESCCC(C)(C(NN)c1c(Cl)cnn1C(C)C)N1CCCC1
InChIInChI=1S/C15H28ClN5/c1-5-15(4,20-8-6-7-9-20)14(19-17)13-12(16)10-18-21(13)11(2)3/h10-11,14,19H,5-9,17H2,1-4H3
InChIKeyJVPATUDGGQHCBO-UHFFFAOYSA-N
XLogP2.89
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.88
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropyl]hydrazine
CID 105245533
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 114656892
[1-(3,5-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241209
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 114656580
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835241
[2-methyl-2-pyrrolidin-1-yl-1-(2,4,5-trimethylphenyl)butyl]hydrazine
CID 105241178
[1-(4-ethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241199
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(dimethylamino)-2-methylbutan-1-ol
CID 114644430
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-cyclohexylmethyl]hydrazine
CID 105201958
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]hydrazine
CID 105336781
(4-tert-butylcyclohexyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114655573
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclopentyl)methyl]hydrazine
CID 105275862

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine?
The IUPAC name of [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine (CID 105241224) is [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine.
What is the SMILES notation for [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine?
The canonical SMILES for [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine is CCC(C)(C(NN)c1c(Cl)cnn1C(C)C)N1CCCC1.
What is the InChIKey of [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine?
The InChIKey is JVPATUDGGQHCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN5/c1-5-15(4,20-8-6-7-9-20)14(19-17)13-12(16)10-18-21(13)11(2)3/h10-11,14,19H,5-9,17H2,1-4H3.
What are the key properties of [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine?
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine has a molecular weight of 313.88 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine is sourced from PubChem (CID 105241224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).