(3S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine

C17H24ClN5 — CID 97072925

IUPAC(3S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine
SMILESCC(C)(C)c1[nH]ncc1CN[C@H]1CCN(c2ncccc2Cl)C1
InChIInChI=1S/C17H24ClN5/c1-17(2,3)15-12(10-21-22-15)9-20-13-6-8-23(11-13)16-14(18)5-4-7-19-16/h4-5,7,10,13,20H,6,8-9,11H2,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeyKBTDEPKZWDWQAY-ZDUSSCGKSA-N
MW333.87 g/mol
LogP3.12
Rot. Bonds4

About (3S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine

(3S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine (PubChem CID 97072925) has the molecular formula C17H24ClN5 and a molecular weight of 333.87 g/mol. Its IUPAC name is (3S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine
PubChem CID97072925
Molecular FormulaC17H24ClN5
Molecular Weight333.87 g/mol
Exact Mass333.17
IUPAC Name(3S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine
SMILESCC(C)(C)c1[nH]ncc1CN[C@H]1CCN(c2ncccc2Cl)C1
InChIInChI=1S/C17H24ClN5/c1-17(2,3)15-12(10-21-22-15)9-20-13-6-8-23(11-13)16-14(18)5-4-7-19-16/h4-5,7,10,13,20H,6,8-9,11H2,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeyKBTDEPKZWDWQAY-ZDUSSCGKSA-N
XLogP3.12
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.87
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine with MolForge

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Related Compounds

3-tert-butyl-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine
CID 133494519
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxyphenyl)piperidin-4-amine;hydrochloride
CID 56799978
1-(3-chloro-2-pyridinyl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 113283451
(3S)-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 97337761
(3R)-N-ethyl-1-(3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 123715636
N-[(2,4-dichlorophenyl)methyl]-1-(3-nitro-2-pyridinyl)pyrrolidin-3-amine
CID 68962708
N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 124888509
1-methyl-3-[(3S)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 129344132
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 166217661
N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 79164505
(2S)-2-amino-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpentanamide
CID 119895623
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133493496

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine (CID 97072925) is (3S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine is CC(C)(C)c1[nH]ncc1CN[C@H]1CCN(c2ncccc2Cl)C1.
What is the InChIKey of (3S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine?
The InChIKey is KBTDEPKZWDWQAY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24ClN5/c1-17(2,3)15-12(10-21-22-15)9-20-13-6-8-23(11-13)16-14(18)5-4-7-19-16/h4-5,7,10,13,20H,6,8-9,11H2,1-3H3,(H,21,22)/t13-/m0/s1.
What are the key properties of (3S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine?
(3S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine has a molecular weight of 333.87 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine is sourced from PubChem (CID 97072925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).