ethyl 4-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoate

C14H22ClN3O2 — CID 64705271

IUPACethyl 4-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoate
SMILESCCOC(=O)C(C)(CC(C)n1cc(Cl)cn1)NC1CC1
InChIInChI=1S/C14H22ClN3O2/c1-4-20-13(19)14(3,17-12-5-6-12)7-10(2)18-9-11(15)8-16-18/h8-10,12,17H,4-7H2,1-3H3
InChIKeyIPFRUWNKDDRJQP-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.56
Rot. Bonds7

About ethyl 4-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoate

ethyl 4-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoate (PubChem CID 64705271) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is ethyl 4-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoate.

Molecular Properties

Compound Nameethyl 4-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoate
PubChem CID64705271
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Nameethyl 4-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoate
SMILESCCOC(=O)C(C)(CC(C)n1cc(Cl)cn1)NC1CC1
InChIInChI=1S/C14H22ClN3O2/c1-4-20-13(19)14(3,17-12-5-6-12)7-10(2)18-9-11(15)8-16-18/h8-10,12,17H,4-7H2,1-3H3
InChIKeyIPFRUWNKDDRJQP-UHFFFAOYSA-N
XLogP2.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-4-(4-chloropyrazol-1-yl)-2-methylpentanoate
CID 64705267
methyl 4-(4-chloropyrazol-1-yl)-2-(ethylamino)-2-methylpentanoate
CID 64705428
4-(4-chloropyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64705270
ethyl 2-(ethylamino)-2-methyl-4-(4-methylpyrazol-1-yl)pentanoate
CID 64705259
4-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64705445
4-(4-chloropyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64703087
ethyl 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate
CID 63921670
ethyl 2-(cyclopropylamino)-4-(dipropylamino)-2-methylpentanoate
CID 64726602
ethyl 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]-2-methylpentanoate
CID 64711612
4-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 64809659
ethyl 4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanoate
CID 64704947
2-(cyclopropylamino)-2-methyl-4-(4-methylpyrazol-1-yl)pentanenitrile
CID 64726150

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoate?
The IUPAC name of ethyl 4-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoate (CID 64705271) is ethyl 4-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoate.
What is the SMILES notation for ethyl 4-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoate?
The canonical SMILES for ethyl 4-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoate is CCOC(=O)C(C)(CC(C)n1cc(Cl)cn1)NC1CC1.
What is the InChIKey of ethyl 4-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoate?
The InChIKey is IPFRUWNKDDRJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-4-20-13(19)14(3,17-12-5-6-12)7-10(2)18-9-11(15)8-16-18/h8-10,12,17H,4-7H2,1-3H3.
What are the key properties of ethyl 4-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoate?
ethyl 4-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoate has a molecular weight of 299.80 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoate is sourced from PubChem (CID 64705271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).