(4-chloro-1-propylpyrazol-5-yl)-[1-(diethylamino)cyclopentyl]methanol

C16H28ClN3O — CID 114644534

IUPAC(4-chloro-1-propylpyrazol-5-yl)-[1-(diethylamino)cyclopentyl]methanol
SMILESCCCn1ncc(Cl)c1C(O)C1(N(CC)CC)CCCC1
InChIInChI=1S/C16H28ClN3O/c1-4-11-20-14(13(17)12-18-20)15(21)16(9-7-8-10-16)19(5-2)6-3/h12,15,21H,4-11H2,1-3H3
InChIKeyZAPGHSHWDARDQO-UHFFFAOYSA-N
MW313.87 g/mol
LogP3.63
Rot. Bonds7

About (4-chloro-1-propylpyrazol-5-yl)-[1-(diethylamino)cyclopentyl]methanol

(4-chloro-1-propylpyrazol-5-yl)-[1-(diethylamino)cyclopentyl]methanol (PubChem CID 114644534) has the molecular formula C16H28ClN3O and a molecular weight of 313.87 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-[1-(diethylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-[1-(diethylamino)cyclopentyl]methanol
PubChem CID114644534
Molecular FormulaC16H28ClN3O
Molecular Weight313.87 g/mol
Exact Mass313.19
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-[1-(diethylamino)cyclopentyl]methanol
SMILESCCCn1ncc(Cl)c1C(O)C1(N(CC)CC)CCCC1
InChIInChI=1S/C16H28ClN3O/c1-4-11-20-14(13(17)12-18-20)15(21)16(9-7-8-10-16)19(5-2)6-3/h12,15,21H,4-11H2,1-3H3
InChIKeyZAPGHSHWDARDQO-UHFFFAOYSA-N
XLogP3.63
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanol
CID 114644567
1-[(4-chloro-1-propylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243209
[1-(diethylamino)cyclopentyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114644530
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
1-(4-chloro-1-propylpyrazol-5-yl)-3-(diethylamino)propan-1-ol
CID 114644612
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylethane-1,2-diol
CID 103456755
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol
CID 103459015
(4-chloro-1-propylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine
CID 114661747
1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835624
(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol
CID 114635404
1-[(4-chloro-1-ethylpyrazol-5-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 114656983
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 114658243

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-[1-(diethylamino)cyclopentyl]methanol?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-[1-(diethylamino)cyclopentyl]methanol (CID 114644534) is (4-chloro-1-propylpyrazol-5-yl)-[1-(diethylamino)cyclopentyl]methanol.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-[1-(diethylamino)cyclopentyl]methanol?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-[1-(diethylamino)cyclopentyl]methanol is CCCn1ncc(Cl)c1C(O)C1(N(CC)CC)CCCC1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-[1-(diethylamino)cyclopentyl]methanol?
The InChIKey is ZAPGHSHWDARDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3O/c1-4-11-20-14(13(17)12-18-20)15(21)16(9-7-8-10-16)19(5-2)6-3/h12,15,21H,4-11H2,1-3H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-[1-(diethylamino)cyclopentyl]methanol?
(4-chloro-1-propylpyrazol-5-yl)-[1-(diethylamino)cyclopentyl]methanol has a molecular weight of 313.87 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-[1-(diethylamino)cyclopentyl]methanol is sourced from PubChem (CID 114644534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).